USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 103 HIS : no HD1:sc= 0.0111 K(o=0.85,f=0.033) USER MOD Set 1.2: A 107 GLN : amide:sc= 0.837 K(o=0.85,f=0) USER MOD Set 2.1: A 7 THR OG1 : rot -129:sc= 0.748 USER MOD Set 2.2: A 64 ASN : amide:sc= -0.124 K(o=1.6,f=0.88) USER MOD Set 2.3: A 66 ASN : amide:sc= 0.0944 K(o=1.6,f=-0.55!) USER MOD Set 2.4: A 67 THR OG1 : rot 173:sc= 0.879 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 13 SER OG : rot -59:sc= 1.97 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -95:sc= 1.21 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 172:sc= 0 (180deg=-0.022) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 CYS SG : rot 77:sc= 0.328 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 160:sc= 0.925 USER MOD Single : A 48 THR OG1 : rot 68:sc= 1.22 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.21) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 1.06 (180deg=0.992) USER MOD Single : A 62 THR OG1 : rot -149:sc= 0.0021 USER MOD Single : A 65 THR OG1 : rot -38:sc= 1.26 USER MOD Single : A 69 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= 2.26 (180deg=2.11) USER MOD Single : A 71 TYR OH : rot -119:sc= 0.616 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 121:sc= 1.16 USER MOD Single : A 80 LYS NZ :NH3+ -165:sc= 1.36 (180deg=1.2) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 81:sc= 1.33 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.922 1.433 15.891 1.00 0.00 N ATOM 2 CA SER A 1 -1.498 1.449 14.471 1.00 0.00 C ATOM 3 C SER A 1 -1.154 0.042 13.989 1.00 0.00 C ATOM 4 O SER A 1 -0.470 -0.713 14.683 1.00 0.00 O ATOM 5 CB SER A 1 -0.302 2.385 14.249 1.00 0.00 C ATOM 6 OG SER A 1 -0.622 3.703 14.674 1.00 0.00 O ATOM 0 H1 SER A 1 -2.151 2.401 16.196 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.762 0.829 15.996 1.00 0.00 H new ATOM 0 H3 SER A 1 -1.151 1.058 16.479 1.00 0.00 H new ATOM 0 HA SER A 1 -2.339 1.826 13.889 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.563 2.018 14.801 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.028 2.392 13.194 1.00 0.00 H new ATOM 0 HG SER A 1 0.149 4.290 14.529 1.00 0.00 H new ATOM 14 N ASP A 2 -1.613 -0.316 12.784 1.00 0.00 N ATOM 15 CA ASP A 2 -1.506 -1.670 12.199 1.00 0.00 C ATOM 16 C ASP A 2 -0.942 -1.668 10.761 1.00 0.00 C ATOM 17 O ASP A 2 -0.902 -2.709 10.101 1.00 0.00 O ATOM 18 CB ASP A 2 -2.887 -2.337 12.265 1.00 0.00 C ATOM 19 CG ASP A 2 -3.271 -2.721 13.705 1.00 0.00 C ATOM 20 OD1 ASP A 2 -2.921 -3.848 14.133 1.00 0.00 O ATOM 21 OD2 ASP A 2 -3.907 -1.902 14.414 1.00 0.00 O ATOM 0 H ASP A 2 -2.084 0.344 12.165 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.786 -2.243 12.783 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.637 -1.659 11.858 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.890 -3.229 11.639 1.00 0.00 H new ATOM 26 N VAL A 3 -0.472 -0.510 10.278 1.00 0.00 N ATOM 27 CA VAL A 3 0.124 -0.317 8.947 1.00 0.00 C ATOM 28 C VAL A 3 1.379 0.565 9.021 1.00 0.00 C ATOM 29 O VAL A 3 1.430 1.520 9.803 1.00 0.00 O ATOM 30 CB VAL A 3 -0.945 0.225 7.974 1.00 0.00 C ATOM 31 CG1 VAL A 3 -1.358 1.690 8.148 1.00 0.00 C ATOM 32 CG2 VAL A 3 -0.566 -0.011 6.513 1.00 0.00 C ATOM 0 H VAL A 3 -0.497 0.351 10.824 1.00 0.00 H new ATOM 0 HA VAL A 3 0.463 -1.277 8.557 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.820 -0.363 8.251 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.113 1.946 7.405 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.768 1.836 9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.487 2.332 8.016 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.347 0.387 5.866 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.376 0.492 6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.456 -1.081 6.334 1.00 0.00 H new ATOM 42 N LEU A 4 2.409 0.203 8.255 1.00 0.00 N ATOM 43 CA LEU A 4 3.726 0.846 8.281 1.00 0.00 C ATOM 44 C LEU A 4 3.711 2.261 7.682 1.00 0.00 C ATOM 45 O LEU A 4 2.937 2.563 6.775 1.00 0.00 O ATOM 46 CB LEU A 4 4.730 -0.058 7.545 1.00 0.00 C ATOM 47 CG LEU A 4 4.952 -1.461 8.150 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.832 -2.293 7.215 1.00 0.00 C ATOM 49 CD2 LEU A 4 5.622 -1.390 9.521 1.00 0.00 C ATOM 0 H LEU A 4 2.351 -0.563 7.584 1.00 0.00 H new ATOM 0 HA LEU A 4 4.026 0.970 9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.393 -0.178 6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.691 0.455 7.508 1.00 0.00 H new ATOM 0 HG LEU A 4 3.972 -1.924 8.269 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.986 -3.282 7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.342 -2.391 6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.795 -1.799 7.086 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.760 -2.398 9.911 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.592 -0.901 9.427 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.993 -0.819 10.204 1.00 0.00 H new ATOM 61 N GLU A 5 4.646 3.097 8.129 1.00 0.00 N ATOM 62 CA GLU A 5 4.931 4.425 7.612 1.00 0.00 C ATOM 63 C GLU A 5 6.441 4.497 7.315 1.00 0.00 C ATOM 64 O GLU A 5 7.274 4.579 8.223 1.00 0.00 O ATOM 65 CB GLU A 5 4.469 5.455 8.644 1.00 0.00 C ATOM 66 CG GLU A 5 4.650 6.849 8.068 1.00 0.00 C ATOM 67 CD GLU A 5 3.939 7.908 8.933 1.00 0.00 C ATOM 68 OE1 GLU A 5 4.518 8.367 9.950 1.00 0.00 O ATOM 69 OE2 GLU A 5 2.799 8.307 8.586 1.00 0.00 O ATOM 0 H GLU A 5 5.257 2.847 8.906 1.00 0.00 H new ATOM 0 HA GLU A 5 4.398 4.639 6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.423 5.287 8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.044 5.350 9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.713 7.083 8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.254 6.880 7.053 1.00 0.00 H new ATOM 76 N LEU A 6 6.778 4.391 6.032 1.00 0.00 N ATOM 77 CA LEU A 6 8.149 4.184 5.540 1.00 0.00 C ATOM 78 C LEU A 6 8.685 5.322 4.662 1.00 0.00 C ATOM 79 O LEU A 6 7.942 6.148 4.133 1.00 0.00 O ATOM 80 CB LEU A 6 8.185 2.865 4.734 1.00 0.00 C ATOM 81 CG LEU A 6 7.683 1.605 5.457 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.790 0.397 4.523 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.480 1.310 6.727 1.00 0.00 C ATOM 0 H LEU A 6 6.090 4.447 5.281 1.00 0.00 H new ATOM 0 HA LEU A 6 8.795 4.150 6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.589 3.000 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.212 2.688 4.414 1.00 0.00 H new ATOM 0 HG LEU A 6 6.646 1.788 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.433 -0.494 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.183 0.569 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.830 0.255 4.230 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.088 0.411 7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.529 1.157 6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.393 2.151 7.415 1.00 0.00 H new ATOM 95 N THR A 7 10.011 5.338 4.491 1.00 0.00 N ATOM 96 CA THR A 7 10.750 6.175 3.528 1.00 0.00 C ATOM 97 C THR A 7 12.146 5.584 3.265 1.00 0.00 C ATOM 98 O THR A 7 12.537 4.604 3.899 1.00 0.00 O ATOM 99 CB THR A 7 10.803 7.641 4.002 1.00 0.00 C ATOM 100 OG1 THR A 7 11.289 8.450 2.960 1.00 0.00 O ATOM 101 CG2 THR A 7 11.680 7.882 5.230 1.00 0.00 C ATOM 0 H THR A 7 10.630 4.743 5.042 1.00 0.00 H new ATOM 0 HA THR A 7 10.219 6.176 2.576 1.00 0.00 H new ATOM 0 HB THR A 7 9.781 7.892 4.285 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.022 9.008 3.294 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.657 8.940 5.491 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.304 7.293 6.067 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.705 7.585 5.009 1.00 0.00 H new ATOM 109 N ASP A 8 12.916 6.176 2.346 1.00 0.00 N ATOM 110 CA ASP A 8 14.265 5.763 1.907 1.00 0.00 C ATOM 111 C ASP A 8 15.261 5.445 3.050 1.00 0.00 C ATOM 112 O ASP A 8 16.167 4.622 2.884 1.00 0.00 O ATOM 113 CB ASP A 8 14.810 6.888 1.012 1.00 0.00 C ATOM 114 CG ASP A 8 16.191 6.568 0.422 1.00 0.00 C ATOM 115 OD1 ASP A 8 16.256 5.772 -0.544 1.00 0.00 O ATOM 116 OD2 ASP A 8 17.202 7.149 0.882 1.00 0.00 O ATOM 0 H ASP A 8 12.599 7.011 1.854 1.00 0.00 H new ATOM 0 HA ASP A 8 14.166 4.817 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.107 7.071 0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.873 7.808 1.592 1.00 0.00 H new ATOM 121 N ASP A 9 15.069 6.046 4.232 1.00 0.00 N ATOM 122 CA ASP A 9 15.813 5.760 5.469 1.00 0.00 C ATOM 123 C ASP A 9 15.835 4.264 5.871 1.00 0.00 C ATOM 124 O ASP A 9 16.848 3.792 6.394 1.00 0.00 O ATOM 125 CB ASP A 9 15.194 6.594 6.598 1.00 0.00 C ATOM 126 CG ASP A 9 15.912 6.378 7.944 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.027 6.923 8.128 1.00 0.00 O ATOM 128 OD2 ASP A 9 15.352 5.680 8.825 1.00 0.00 O ATOM 0 H ASP A 9 14.365 6.773 4.359 1.00 0.00 H new ATOM 0 HA ASP A 9 16.855 6.025 5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.236 7.650 6.332 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.141 6.333 6.704 1.00 0.00 H new ATOM 133 N ASN A 10 14.750 3.517 5.610 1.00 0.00 N ATOM 134 CA ASN A 10 14.640 2.089 5.972 1.00 0.00 C ATOM 135 C ASN A 10 13.801 1.212 5.017 1.00 0.00 C ATOM 136 O ASN A 10 13.896 -0.014 5.101 1.00 0.00 O ATOM 137 CB ASN A 10 14.162 1.959 7.431 1.00 0.00 C ATOM 138 CG ASN A 10 12.669 2.175 7.617 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.891 1.235 7.648 1.00 0.00 O ATOM 140 ND2 ASN A 10 12.221 3.403 7.761 1.00 0.00 N ATOM 0 H ASN A 10 13.922 3.884 5.141 1.00 0.00 H new ATOM 0 HA ASN A 10 15.646 1.683 5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 10 14.424 0.967 7.801 1.00 0.00 H new ATOM 0 HB3 ASN A 10 14.702 2.680 8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.224 3.569 7.898 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.870 4.189 7.735 1.00 0.00 H new ATOM 147 N PHE A 11 13.020 1.791 4.091 1.00 0.00 N ATOM 148 CA PHE A 11 12.141 1.063 3.158 1.00 0.00 C ATOM 149 C PHE A 11 12.834 -0.122 2.469 1.00 0.00 C ATOM 150 O PHE A 11 12.296 -1.226 2.439 1.00 0.00 O ATOM 151 CB PHE A 11 11.610 2.058 2.107 1.00 0.00 C ATOM 152 CG PHE A 11 10.680 1.460 1.066 1.00 0.00 C ATOM 153 CD1 PHE A 11 11.197 0.785 -0.057 1.00 0.00 C ATOM 154 CD2 PHE A 11 9.282 1.587 1.215 1.00 0.00 C ATOM 155 CE1 PHE A 11 10.327 0.210 -1.001 1.00 0.00 C ATOM 156 CE2 PHE A 11 8.417 1.027 0.264 1.00 0.00 C ATOM 157 CZ PHE A 11 8.937 0.331 -0.842 1.00 0.00 C ATOM 0 H PHE A 11 12.980 2.803 3.966 1.00 0.00 H new ATOM 0 HA PHE A 11 11.323 0.635 3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.084 2.861 2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.460 2.510 1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.266 0.709 -0.194 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.877 2.117 2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 11 10.728 -0.325 -1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.348 1.130 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.269 -0.109 -1.567 1.00 0.00 H new ATOM 167 N GLU A 12 14.067 0.087 2.000 1.00 0.00 N ATOM 168 CA GLU A 12 14.901 -0.863 1.241 1.00 0.00 C ATOM 169 C GLU A 12 15.365 -2.106 2.027 1.00 0.00 C ATOM 170 O GLU A 12 16.074 -2.965 1.492 1.00 0.00 O ATOM 171 CB GLU A 12 16.109 -0.111 0.666 1.00 0.00 C ATOM 172 CG GLU A 12 15.699 0.975 -0.345 1.00 0.00 C ATOM 173 CD GLU A 12 16.878 1.566 -1.152 1.00 0.00 C ATOM 174 OE1 GLU A 12 18.048 1.523 -0.688 1.00 0.00 O ATOM 175 OE2 GLU A 12 16.629 2.097 -2.266 1.00 0.00 O ATOM 0 H GLU A 12 14.543 0.977 2.146 1.00 0.00 H new ATOM 0 HA GLU A 12 14.266 -1.262 0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 12 16.669 0.348 1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.778 -0.821 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.973 0.553 -1.040 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.198 1.782 0.189 1.00 0.00 H new ATOM 182 N SER A 13 14.937 -2.227 3.282 1.00 0.00 N ATOM 183 CA SER A 13 15.117 -3.410 4.146 1.00 0.00 C ATOM 184 C SER A 13 13.799 -4.130 4.500 1.00 0.00 C ATOM 185 O SER A 13 13.826 -5.309 4.854 1.00 0.00 O ATOM 186 CB SER A 13 15.823 -2.990 5.436 1.00 0.00 C ATOM 187 OG SER A 13 14.954 -2.192 6.226 1.00 0.00 O ATOM 0 H SER A 13 14.433 -1.475 3.752 1.00 0.00 H new ATOM 0 HA SER A 13 15.717 -4.121 3.578 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.130 -3.873 5.997 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.729 -2.432 5.200 1.00 0.00 H new ATOM 0 HG SER A 13 14.690 -1.396 5.719 1.00 0.00 H new ATOM 193 N ARG A 14 12.641 -3.445 4.411 1.00 0.00 N ATOM 194 CA ARG A 14 11.324 -3.991 4.807 1.00 0.00 C ATOM 195 C ARG A 14 10.770 -4.988 3.789 1.00 0.00 C ATOM 196 O ARG A 14 10.101 -5.954 4.152 1.00 0.00 O ATOM 197 CB ARG A 14 10.309 -2.853 4.963 1.00 0.00 C ATOM 198 CG ARG A 14 10.657 -1.765 5.996 1.00 0.00 C ATOM 199 CD ARG A 14 10.900 -2.281 7.423 1.00 0.00 C ATOM 200 NE ARG A 14 12.309 -2.674 7.621 1.00 0.00 N ATOM 201 CZ ARG A 14 12.817 -3.375 8.618 1.00 0.00 C ATOM 202 NH1 ARG A 14 12.080 -3.866 9.575 1.00 0.00 N ATOM 203 NH2 ARG A 14 14.098 -3.602 8.660 1.00 0.00 N ATOM 0 H ARG A 14 12.592 -2.489 4.059 1.00 0.00 H new ATOM 0 HA ARG A 14 11.477 -4.513 5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 14 10.180 -2.374 3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.347 -3.287 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 14 11.549 -1.237 5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.846 -1.037 6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.632 -1.507 8.142 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.252 -3.135 7.618 1.00 0.00 H new ATOM 0 HE ARG A 14 12.967 -2.368 6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.071 -3.714 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 14 12.512 -4.402 10.327 1.00 0.00 H new ATOM 0 HH21 ARG A 14 14.705 -3.239 7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 14 14.495 -4.143 9.428 1.00 0.00 H new ATOM 217 N ILE A 15 11.074 -4.750 2.511 1.00 0.00 N ATOM 218 CA ILE A 15 10.603 -5.515 1.343 1.00 0.00 C ATOM 219 C ILE A 15 10.982 -7.002 1.371 1.00 0.00 C ATOM 220 O ILE A 15 10.369 -7.828 0.689 1.00 0.00 O ATOM 221 CB ILE A 15 11.045 -4.837 0.023 1.00 0.00 C ATOM 222 CG1 ILE A 15 12.468 -5.204 -0.461 1.00 0.00 C ATOM 223 CG2 ILE A 15 10.869 -3.313 0.107 1.00 0.00 C ATOM 224 CD1 ILE A 15 13.602 -4.810 0.488 1.00 0.00 C ATOM 0 H ILE A 15 11.687 -3.980 2.244 1.00 0.00 H new ATOM 0 HA ILE A 15 9.514 -5.500 1.396 1.00 0.00 H new ATOM 0 HB ILE A 15 10.379 -5.243 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.512 -6.281 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 15 12.641 -4.726 -1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 15 11.186 -2.858 -0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.820 -3.077 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.476 -2.921 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 15 14.557 -5.111 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 15 13.594 -3.730 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 15 13.463 -5.308 1.447 1.00 0.00 H new ATOM 236 N SER A 16 11.982 -7.343 2.184 1.00 0.00 N ATOM 237 CA SER A 16 12.471 -8.714 2.397 1.00 0.00 C ATOM 238 C SER A 16 11.442 -9.599 3.111 1.00 0.00 C ATOM 239 O SER A 16 11.510 -10.825 3.015 1.00 0.00 O ATOM 240 CB SER A 16 13.773 -8.686 3.216 1.00 0.00 C ATOM 241 OG SER A 16 14.766 -7.911 2.549 1.00 0.00 O ATOM 0 H SER A 16 12.494 -6.652 2.733 1.00 0.00 H new ATOM 0 HA SER A 16 12.652 -9.145 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.579 -8.267 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.137 -9.702 3.366 1.00 0.00 H new ATOM 0 HG SER A 16 15.587 -7.902 3.084 1.00 0.00 H new ATOM 247 N ASP A 17 10.463 -8.996 3.796 1.00 0.00 N ATOM 248 CA ASP A 17 9.390 -9.717 4.497 1.00 0.00 C ATOM 249 C ASP A 17 8.383 -10.418 3.553 1.00 0.00 C ATOM 250 O ASP A 17 7.592 -11.265 3.971 1.00 0.00 O ATOM 251 CB ASP A 17 8.681 -8.740 5.452 1.00 0.00 C ATOM 252 CG ASP A 17 7.770 -9.465 6.461 1.00 0.00 C ATOM 253 OD1 ASP A 17 8.293 -10.255 7.286 1.00 0.00 O ATOM 254 OD2 ASP A 17 6.538 -9.226 6.453 1.00 0.00 O ATOM 0 H ASP A 17 10.391 -7.982 3.881 1.00 0.00 H new ATOM 0 HA ASP A 17 9.851 -10.529 5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.427 -8.158 5.993 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.087 -8.035 4.871 1.00 0.00 H new ATOM 259 N THR A 18 8.442 -10.094 2.263 1.00 0.00 N ATOM 260 CA THR A 18 7.591 -10.658 1.197 1.00 0.00 C ATOM 261 C THR A 18 7.699 -12.171 1.000 1.00 0.00 C ATOM 262 O THR A 18 6.760 -12.776 0.484 1.00 0.00 O ATOM 263 CB THR A 18 7.882 -10.012 -0.164 1.00 0.00 C ATOM 264 OG1 THR A 18 9.256 -9.993 -0.466 1.00 0.00 O ATOM 265 CG2 THR A 18 7.340 -8.590 -0.224 1.00 0.00 C ATOM 0 H THR A 18 9.107 -9.406 1.910 1.00 0.00 H new ATOM 0 HA THR A 18 6.584 -10.434 1.550 1.00 0.00 H new ATOM 0 HB THR A 18 7.376 -10.629 -0.907 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.636 -9.128 -0.205 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.561 -8.157 -1.200 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.261 -8.605 -0.069 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.810 -7.988 0.554 1.00 0.00 H new ATOM 273 N GLY A 19 8.791 -12.802 1.440 1.00 0.00 N ATOM 274 CA GLY A 19 9.016 -14.251 1.350 1.00 0.00 C ATOM 275 C GLY A 19 7.905 -15.142 1.940 1.00 0.00 C ATOM 276 O GLY A 19 7.788 -16.304 1.547 1.00 0.00 O ATOM 0 H GLY A 19 9.566 -12.307 1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.147 -14.514 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.952 -14.486 1.857 1.00 0.00 H new ATOM 280 N SER A 20 7.064 -14.603 2.837 1.00 0.00 N ATOM 281 CA SER A 20 5.933 -15.313 3.478 1.00 0.00 C ATOM 282 C SER A 20 4.546 -14.871 2.984 1.00 0.00 C ATOM 283 O SER A 20 3.528 -15.409 3.423 1.00 0.00 O ATOM 284 CB SER A 20 6.031 -15.080 4.987 1.00 0.00 C ATOM 285 OG SER A 20 5.459 -16.159 5.714 1.00 0.00 O ATOM 0 H SER A 20 7.150 -13.635 3.148 1.00 0.00 H new ATOM 0 HA SER A 20 6.019 -16.367 3.212 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.076 -14.961 5.272 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.522 -14.152 5.248 1.00 0.00 H new ATOM 0 HG SER A 20 5.537 -15.984 6.675 1.00 0.00 H new ATOM 291 N ALA A 21 4.504 -13.892 2.082 1.00 0.00 N ATOM 292 CA ALA A 21 3.292 -13.224 1.587 1.00 0.00 C ATOM 293 C ALA A 21 3.165 -13.179 0.051 1.00 0.00 C ATOM 294 O ALA A 21 2.087 -12.889 -0.475 1.00 0.00 O ATOM 295 CB ALA A 21 3.282 -11.806 2.169 1.00 0.00 C ATOM 0 H ALA A 21 5.352 -13.522 1.653 1.00 0.00 H new ATOM 0 HA ALA A 21 2.432 -13.808 1.914 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.394 -11.277 1.823 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.271 -11.860 3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.174 -11.272 1.841 1.00 0.00 H new ATOM 301 N GLY A 22 4.251 -13.436 -0.689 1.00 0.00 N ATOM 302 CA GLY A 22 4.326 -13.379 -2.153 1.00 0.00 C ATOM 303 C GLY A 22 4.542 -11.966 -2.714 1.00 0.00 C ATOM 304 O GLY A 22 5.241 -11.803 -3.714 1.00 0.00 O ATOM 0 H GLY A 22 5.140 -13.701 -0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.140 -14.021 -2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.405 -13.787 -2.570 1.00 0.00 H new ATOM 308 N LEU A 23 4.002 -10.933 -2.057 1.00 0.00 N ATOM 309 CA LEU A 23 4.144 -9.519 -2.422 1.00 0.00 C ATOM 310 C LEU A 23 3.970 -8.581 -1.217 1.00 0.00 C ATOM 311 O LEU A 23 3.545 -9.005 -0.142 1.00 0.00 O ATOM 312 CB LEU A 23 3.159 -9.183 -3.572 1.00 0.00 C ATOM 313 CG LEU A 23 1.648 -9.214 -3.246 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.148 -7.918 -2.594 1.00 0.00 C ATOM 315 CD2 LEU A 23 0.843 -9.408 -4.532 1.00 0.00 C ATOM 0 H LEU A 23 3.431 -11.065 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 23 5.163 -9.354 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.403 -8.188 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.342 -9.883 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 23 1.508 -10.038 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.081 -8.002 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.684 -7.750 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.323 -7.080 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.221 -9.429 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.046 -8.584 -5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.129 -10.349 -5.002 1.00 0.00 H new ATOM 327 N MET A 24 4.255 -7.299 -1.435 1.00 0.00 N ATOM 328 CA MET A 24 3.972 -6.180 -0.526 1.00 0.00 C ATOM 329 C MET A 24 3.162 -5.107 -1.272 1.00 0.00 C ATOM 330 O MET A 24 3.316 -4.950 -2.485 1.00 0.00 O ATOM 331 CB MET A 24 5.307 -5.629 0.014 1.00 0.00 C ATOM 332 CG MET A 24 5.195 -4.483 1.022 1.00 0.00 C ATOM 333 SD MET A 24 6.791 -4.049 1.759 1.00 0.00 S ATOM 334 CE MET A 24 6.276 -2.770 2.932 1.00 0.00 C ATOM 0 H MET A 24 4.713 -6.992 -2.293 1.00 0.00 H new ATOM 0 HA MET A 24 3.373 -6.511 0.323 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.853 -6.448 0.482 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.906 -5.288 -0.830 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.777 -3.607 0.526 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.498 -4.765 1.812 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.119 -2.498 3.567 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.935 -1.891 2.385 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.463 -3.150 3.551 1.00 0.00 H new ATOM 344 N LEU A 25 2.315 -4.363 -0.556 1.00 0.00 N ATOM 345 CA LEU A 25 1.455 -3.306 -1.100 1.00 0.00 C ATOM 346 C LEU A 25 1.721 -1.999 -0.335 1.00 0.00 C ATOM 347 O LEU A 25 1.775 -2.001 0.894 1.00 0.00 O ATOM 348 CB LEU A 25 -0.011 -3.769 -0.976 1.00 0.00 C ATOM 349 CG LEU A 25 -1.067 -2.724 -1.397 1.00 0.00 C ATOM 350 CD1 LEU A 25 -1.026 -2.410 -2.894 1.00 0.00 C ATOM 351 CD2 LEU A 25 -2.461 -3.248 -1.072 1.00 0.00 C ATOM 0 H LEU A 25 2.205 -4.483 0.451 1.00 0.00 H new ATOM 0 HA LEU A 25 1.667 -3.117 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.146 -4.664 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.199 -4.056 0.059 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.839 -1.812 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.790 -1.670 -3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.044 -2.015 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.214 -3.321 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.206 -2.510 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.635 -4.178 -1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.540 -3.432 -0.000 1.00 0.00 H new ATOM 363 N VAL A 26 1.910 -0.883 -1.037 1.00 0.00 N ATOM 364 CA VAL A 26 2.271 0.403 -0.407 1.00 0.00 C ATOM 365 C VAL A 26 1.510 1.563 -1.047 1.00 0.00 C ATOM 366 O VAL A 26 1.331 1.589 -2.263 1.00 0.00 O ATOM 367 CB VAL A 26 3.793 0.635 -0.437 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.226 1.904 0.309 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.597 -0.575 0.057 1.00 0.00 C ATOM 0 H VAL A 26 1.820 -0.836 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 26 1.973 0.356 0.640 1.00 0.00 H new ATOM 0 HB VAL A 26 4.025 0.778 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.309 2.009 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.752 2.773 -0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.925 1.832 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.662 -0.348 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.318 -0.801 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.383 -1.437 -0.575 1.00 0.00 H new ATOM 379 N GLU A 27 1.060 2.516 -0.232 1.00 0.00 N ATOM 380 CA GLU A 27 0.276 3.686 -0.631 1.00 0.00 C ATOM 381 C GLU A 27 1.141 4.953 -0.563 1.00 0.00 C ATOM 382 O GLU A 27 1.812 5.203 0.433 1.00 0.00 O ATOM 383 CB GLU A 27 -0.933 3.799 0.317 1.00 0.00 C ATOM 384 CG GLU A 27 -1.821 5.023 0.060 1.00 0.00 C ATOM 385 CD GLU A 27 -2.887 5.159 1.163 1.00 0.00 C ATOM 386 OE1 GLU A 27 -2.526 5.598 2.286 1.00 0.00 O ATOM 387 OE2 GLU A 27 -4.078 4.867 0.900 1.00 0.00 O ATOM 0 H GLU A 27 1.240 2.493 0.772 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.070 3.577 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.539 2.898 0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.572 3.835 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.208 5.923 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.305 4.930 -0.912 1.00 0.00 H new ATOM 394 N PHE A 28 1.077 5.787 -1.596 1.00 0.00 N ATOM 395 CA PHE A 28 1.820 7.041 -1.713 1.00 0.00 C ATOM 396 C PHE A 28 0.824 8.211 -1.818 1.00 0.00 C ATOM 397 O PHE A 28 -0.105 8.163 -2.632 1.00 0.00 O ATOM 398 CB PHE A 28 2.772 6.952 -2.911 1.00 0.00 C ATOM 399 CG PHE A 28 3.821 5.844 -2.865 1.00 0.00 C ATOM 400 CD1 PHE A 28 3.461 4.497 -3.066 1.00 0.00 C ATOM 401 CD2 PHE A 28 5.176 6.165 -2.646 1.00 0.00 C ATOM 402 CE1 PHE A 28 4.431 3.482 -2.989 1.00 0.00 C ATOM 403 CE2 PHE A 28 6.155 5.151 -2.605 1.00 0.00 C ATOM 404 CZ PHE A 28 5.779 3.806 -2.762 1.00 0.00 C ATOM 0 H PHE A 28 0.485 5.603 -2.406 1.00 0.00 H new ATOM 0 HA PHE A 28 2.433 7.220 -0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.174 6.819 -3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.288 7.907 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.434 4.242 -3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.467 7.196 -2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.138 2.449 -3.105 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.193 5.408 -2.453 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.523 3.025 -2.708 1.00 0.00 H new ATOM 414 N PHE A 29 0.999 9.255 -0.995 1.00 0.00 N ATOM 415 CA PHE A 29 -0.003 10.321 -0.804 1.00 0.00 C ATOM 416 C PHE A 29 0.582 11.710 -0.451 1.00 0.00 C ATOM 417 O PHE A 29 1.797 11.901 -0.448 1.00 0.00 O ATOM 418 CB PHE A 29 -0.969 9.842 0.304 1.00 0.00 C ATOM 419 CG PHE A 29 -2.449 9.784 -0.044 1.00 0.00 C ATOM 420 CD1 PHE A 29 -3.078 10.758 -0.850 1.00 0.00 C ATOM 421 CD2 PHE A 29 -3.221 8.747 0.507 1.00 0.00 C ATOM 422 CE1 PHE A 29 -4.457 10.678 -1.104 1.00 0.00 C ATOM 423 CE2 PHE A 29 -4.597 8.672 0.256 1.00 0.00 C ATOM 424 CZ PHE A 29 -5.223 9.640 -0.546 1.00 0.00 C ATOM 0 H PHE A 29 1.844 9.387 -0.439 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.508 10.479 -1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.656 8.846 0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.849 10.500 1.165 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.498 11.566 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.749 8.001 1.130 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.931 11.418 -1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.178 7.867 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.285 9.587 -0.733 1.00 0.00 H new ATOM 434 N ALA A 30 -0.291 12.668 -0.128 1.00 0.00 N ATOM 435 CA ALA A 30 0.011 13.985 0.448 1.00 0.00 C ATOM 436 C ALA A 30 -1.142 14.441 1.384 1.00 0.00 C ATOM 437 O ALA A 30 -2.257 13.914 1.271 1.00 0.00 O ATOM 438 CB ALA A 30 0.193 14.980 -0.710 1.00 0.00 C ATOM 0 H ALA A 30 -1.293 12.538 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 30 0.922 13.937 1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.419 15.968 -0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.014 14.651 -1.347 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.725 15.028 -1.296 1.00 0.00 H new ATOM 444 N PRO A 31 -0.937 15.433 2.274 1.00 0.00 N ATOM 445 CA PRO A 31 -1.993 15.986 3.139 1.00 0.00 C ATOM 446 C PRO A 31 -3.008 16.886 2.401 1.00 0.00 C ATOM 447 O PRO A 31 -3.959 17.381 3.012 1.00 0.00 O ATOM 448 CB PRO A 31 -1.238 16.751 4.234 1.00 0.00 C ATOM 449 CG PRO A 31 0.026 17.222 3.522 1.00 0.00 C ATOM 450 CD PRO A 31 0.339 16.069 2.576 1.00 0.00 C ATOM 0 HA PRO A 31 -2.618 15.187 3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.822 17.589 4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.006 16.111 5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.139 18.154 2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.841 17.401 4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.818 16.431 1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.027 15.361 3.039 1.00 0.00 H new ATOM 458 N TRP A 32 -2.820 17.100 1.094 1.00 0.00 N ATOM 459 CA TRP A 32 -3.606 17.978 0.220 1.00 0.00 C ATOM 460 C TRP A 32 -3.763 17.398 -1.194 1.00 0.00 C ATOM 461 O TRP A 32 -3.141 16.386 -1.536 1.00 0.00 O ATOM 462 CB TRP A 32 -2.937 19.362 0.187 1.00 0.00 C ATOM 463 CG TRP A 32 -1.463 19.412 -0.118 1.00 0.00 C ATOM 464 CD1 TRP A 32 -0.845 18.909 -1.212 1.00 0.00 C ATOM 465 CD2 TRP A 32 -0.405 20.029 0.686 1.00 0.00 C ATOM 466 NE1 TRP A 32 0.513 19.165 -1.137 1.00 0.00 N ATOM 467 CE2 TRP A 32 0.838 19.856 0.008 1.00 0.00 C ATOM 468 CE3 TRP A 32 -0.372 20.721 1.917 1.00 0.00 C ATOM 469 CZ2 TRP A 32 2.043 20.361 0.515 1.00 0.00 C ATOM 470 CZ3 TRP A 32 0.835 21.224 2.440 1.00 0.00 C ATOM 471 CH2 TRP A 32 2.045 21.048 1.741 1.00 0.00 C ATOM 0 H TRP A 32 -2.067 16.635 0.586 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.615 18.066 0.622 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -3.455 19.969 -0.555 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.097 19.837 1.155 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -1.336 18.388 -2.020 1.00 0.00 H new ATOM 0 HE1 TRP A 32 1.190 18.877 -1.844 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.290 20.867 2.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 2.964 20.223 -0.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.833 21.749 3.384 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.968 21.438 2.144 1.00 0.00 H new ATOM 482 N CYS A 33 -4.585 18.040 -2.032 1.00 0.00 N ATOM 483 CA CYS A 33 -4.874 17.652 -3.427 1.00 0.00 C ATOM 484 C CYS A 33 -5.306 16.174 -3.595 1.00 0.00 C ATOM 485 O CYS A 33 -5.014 15.534 -4.613 1.00 0.00 O ATOM 486 CB CYS A 33 -3.696 18.070 -4.322 1.00 0.00 C ATOM 487 SG CYS A 33 -3.401 19.862 -4.206 1.00 0.00 S ATOM 0 H CYS A 33 -5.091 18.880 -1.750 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.759 18.196 -3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.798 17.529 -4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.905 17.797 -5.357 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.400 20.187 -4.969 1.00 0.00 H new ATOM 493 N GLY A 34 -5.984 15.618 -2.585 1.00 0.00 N ATOM 494 CA GLY A 34 -6.411 14.219 -2.511 1.00 0.00 C ATOM 495 C GLY A 34 -7.276 13.918 -1.280 1.00 0.00 C ATOM 496 O GLY A 34 -7.617 14.810 -0.499 1.00 0.00 O ATOM 0 H GLY A 34 -6.261 16.154 -1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.972 13.968 -3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.530 13.577 -2.495 1.00 0.00 H new ATOM 500 N HIS A 35 -7.634 12.644 -1.107 1.00 0.00 N ATOM 501 CA HIS A 35 -8.617 12.180 -0.106 1.00 0.00 C ATOM 502 C HIS A 35 -7.973 11.461 1.100 1.00 0.00 C ATOM 503 O HIS A 35 -8.603 10.613 1.731 1.00 0.00 O ATOM 504 CB HIS A 35 -9.664 11.309 -0.819 1.00 0.00 C ATOM 505 CG HIS A 35 -10.363 12.030 -1.948 1.00 0.00 C ATOM 506 ND1 HIS A 35 -11.273 13.055 -1.825 1.00 0.00 N ATOM 507 CD2 HIS A 35 -10.195 11.802 -3.289 1.00 0.00 C ATOM 508 CE1 HIS A 35 -11.640 13.442 -3.060 1.00 0.00 C ATOM 509 NE2 HIS A 35 -11.008 12.702 -3.990 1.00 0.00 N ATOM 0 H HIS A 35 -7.245 11.885 -1.666 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.104 13.052 0.332 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.179 10.415 -1.212 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.406 10.976 -0.093 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.548 11.058 -3.729 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.342 14.234 -3.275 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.102 12.781 -5.003 1.00 0.00 H new ATOM 517 N CYS A 36 -6.709 11.778 1.417 1.00 0.00 N ATOM 518 CA CYS A 36 -5.920 11.078 2.439 1.00 0.00 C ATOM 519 C CYS A 36 -6.622 11.020 3.808 1.00 0.00 C ATOM 520 O CYS A 36 -6.662 9.975 4.454 1.00 0.00 O ATOM 521 CB CYS A 36 -4.542 11.753 2.525 1.00 0.00 C ATOM 522 SG CYS A 36 -3.397 10.716 3.480 1.00 0.00 S ATOM 0 H CYS A 36 -6.200 12.538 0.964 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.805 10.035 2.143 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.146 11.918 1.523 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.637 12.732 2.995 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.993 9.724 2.744 1.00 0.00 H new ATOM 528 N LYS A 37 -7.280 12.118 4.193 1.00 0.00 N ATOM 529 CA LYS A 37 -8.033 12.266 5.453 1.00 0.00 C ATOM 530 C LYS A 37 -9.250 11.338 5.568 1.00 0.00 C ATOM 531 O LYS A 37 -9.741 11.121 6.679 1.00 0.00 O ATOM 532 CB LYS A 37 -8.450 13.738 5.585 1.00 0.00 C ATOM 533 CG LYS A 37 -7.231 14.667 5.748 1.00 0.00 C ATOM 534 CD LYS A 37 -7.575 16.099 5.327 1.00 0.00 C ATOM 535 CE LYS A 37 -6.356 17.009 5.529 1.00 0.00 C ATOM 536 NZ LYS A 37 -6.632 18.407 5.104 1.00 0.00 N ATOM 0 H LYS A 37 -7.307 12.961 3.619 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.379 11.966 6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -9.018 14.035 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.111 13.853 6.444 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.899 14.659 6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.402 14.296 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.883 16.116 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.416 16.468 5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.066 16.999 6.580 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.512 16.617 4.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.784 18.990 5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.884 18.420 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.421 18.790 5.663 1.00 0.00 H new ATOM 550 N ARG A 38 -9.720 10.774 4.444 1.00 0.00 N ATOM 551 CA ARG A 38 -10.853 9.820 4.368 1.00 0.00 C ATOM 552 C ARG A 38 -10.420 8.394 4.022 1.00 0.00 C ATOM 553 O ARG A 38 -11.063 7.442 4.469 1.00 0.00 O ATOM 554 CB ARG A 38 -11.889 10.324 3.347 1.00 0.00 C ATOM 555 CG ARG A 38 -12.541 11.649 3.767 1.00 0.00 C ATOM 556 CD ARG A 38 -13.612 12.066 2.753 1.00 0.00 C ATOM 557 NE ARG A 38 -14.279 13.321 3.148 1.00 0.00 N ATOM 558 CZ ARG A 38 -15.319 13.883 2.549 1.00 0.00 C ATOM 559 NH1 ARG A 38 -15.882 13.364 1.491 1.00 0.00 N ATOM 560 NH2 ARG A 38 -15.816 14.996 3.006 1.00 0.00 N ATOM 0 H ARG A 38 -9.313 10.972 3.530 1.00 0.00 H new ATOM 0 HA ARG A 38 -11.297 9.774 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.405 10.453 2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.663 9.568 3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -12.989 11.543 4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.781 12.427 3.843 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.155 12.190 1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.354 11.273 2.661 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.902 13.804 3.963 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.522 12.495 1.097 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.681 13.828 1.059 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.405 15.439 3.828 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.617 15.425 2.542 1.00 0.00 H new ATOM 574 N LEU A 39 -9.324 8.221 3.271 1.00 0.00 N ATOM 575 CA LEU A 39 -8.827 6.907 2.840 1.00 0.00 C ATOM 576 C LEU A 39 -7.807 6.280 3.807 1.00 0.00 C ATOM 577 O LEU A 39 -7.771 5.054 3.925 1.00 0.00 O ATOM 578 CB LEU A 39 -8.268 7.040 1.414 1.00 0.00 C ATOM 579 CG LEU A 39 -7.848 5.702 0.768 1.00 0.00 C ATOM 580 CD1 LEU A 39 -9.008 4.713 0.636 1.00 0.00 C ATOM 581 CD2 LEU A 39 -7.325 5.966 -0.645 1.00 0.00 C ATOM 0 H LEU A 39 -8.751 8.998 2.942 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.664 6.209 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.021 7.513 0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.406 7.706 1.435 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.089 5.269 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.650 3.792 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.412 4.491 1.624 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.790 5.150 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.027 5.024 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.110 6.429 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.465 6.633 -0.596 1.00 0.00 H new ATOM 593 N ALA A 40 -7.019 7.072 4.546 1.00 0.00 N ATOM 594 CA ALA A 40 -6.093 6.559 5.560 1.00 0.00 C ATOM 595 C ALA A 40 -6.729 5.613 6.611 1.00 0.00 C ATOM 596 O ALA A 40 -6.138 4.553 6.846 1.00 0.00 O ATOM 597 CB ALA A 40 -5.355 7.729 6.219 1.00 0.00 C ATOM 0 H ALA A 40 -7.007 8.088 4.456 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.383 5.921 5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.667 7.347 6.973 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.795 8.279 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.077 8.395 6.691 1.00 0.00 H new ATOM 603 N PRO A 41 -7.917 5.899 7.195 1.00 0.00 N ATOM 604 CA PRO A 41 -8.556 4.999 8.158 1.00 0.00 C ATOM 605 C PRO A 41 -9.130 3.718 7.519 1.00 0.00 C ATOM 606 O PRO A 41 -9.398 2.747 8.223 1.00 0.00 O ATOM 607 CB PRO A 41 -9.652 5.825 8.845 1.00 0.00 C ATOM 608 CG PRO A 41 -10.043 6.834 7.774 1.00 0.00 C ATOM 609 CD PRO A 41 -8.707 7.123 7.089 1.00 0.00 C ATOM 0 HA PRO A 41 -7.816 4.632 8.869 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.497 5.205 9.143 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -9.283 6.315 9.746 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.776 6.424 7.078 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.481 7.734 8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.857 7.399 6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.197 7.958 7.569 1.00 0.00 H new ATOM 617 N GLU A 42 -9.290 3.684 6.188 1.00 0.00 N ATOM 618 CA GLU A 42 -9.632 2.463 5.451 1.00 0.00 C ATOM 619 C GLU A 42 -8.383 1.635 5.106 1.00 0.00 C ATOM 620 O GLU A 42 -8.398 0.411 5.226 1.00 0.00 O ATOM 621 CB GLU A 42 -10.399 2.835 4.175 1.00 0.00 C ATOM 622 CG GLU A 42 -11.833 3.290 4.487 1.00 0.00 C ATOM 623 CD GLU A 42 -12.684 3.321 3.208 1.00 0.00 C ATOM 624 OE1 GLU A 42 -12.895 2.241 2.607 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.154 4.413 2.803 1.00 0.00 O ATOM 0 H GLU A 42 -9.185 4.506 5.593 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.262 1.844 6.090 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.870 3.631 3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.427 1.977 3.504 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.284 2.614 5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.815 4.281 4.942 1.00 0.00 H new ATOM 632 N TYR A 43 -7.275 2.272 4.727 1.00 0.00 N ATOM 633 CA TYR A 43 -6.046 1.553 4.387 1.00 0.00 C ATOM 634 C TYR A 43 -5.401 0.854 5.602 1.00 0.00 C ATOM 635 O TYR A 43 -4.960 -0.291 5.493 1.00 0.00 O ATOM 636 CB TYR A 43 -5.086 2.520 3.698 1.00 0.00 C ATOM 637 CG TYR A 43 -3.879 1.822 3.115 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.003 1.082 1.925 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.639 1.892 3.775 1.00 0.00 C ATOM 640 CE1 TYR A 43 -2.881 0.433 1.374 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.516 1.274 3.215 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.625 0.562 2.003 1.00 0.00 C ATOM 643 OH TYR A 43 -0.516 0.042 1.427 1.00 0.00 O ATOM 0 H TYR A 43 -7.203 3.286 4.647 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.296 0.743 3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.615 3.048 2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.756 3.271 4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.962 1.011 1.432 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.554 2.422 4.712 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.982 -0.159 0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.560 1.343 3.714 1.00 0.00 H new ATOM 0 HH TYR A 43 0.280 0.476 1.799 1.00 0.00 H new ATOM 653 N GLU A 44 -5.403 1.480 6.786 1.00 0.00 N ATOM 654 CA GLU A 44 -4.984 0.809 8.030 1.00 0.00 C ATOM 655 C GLU A 44 -5.919 -0.335 8.444 1.00 0.00 C ATOM 656 O GLU A 44 -5.478 -1.351 8.988 1.00 0.00 O ATOM 657 CB GLU A 44 -4.796 1.824 9.166 1.00 0.00 C ATOM 658 CG GLU A 44 -6.081 2.401 9.766 1.00 0.00 C ATOM 659 CD GLU A 44 -5.755 3.421 10.871 1.00 0.00 C ATOM 660 OE1 GLU A 44 -5.560 3.004 12.039 1.00 0.00 O ATOM 661 OE2 GLU A 44 -5.707 4.645 10.602 1.00 0.00 O ATOM 0 H GLU A 44 -5.690 2.451 6.912 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.020 0.345 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.228 1.346 9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.189 2.649 8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.670 2.880 8.984 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.690 1.596 10.176 1.00 0.00 H new ATOM 668 N ALA A 45 -7.207 -0.210 8.129 1.00 0.00 N ATOM 669 CA ALA A 45 -8.179 -1.291 8.298 1.00 0.00 C ATOM 670 C ALA A 45 -7.925 -2.451 7.313 1.00 0.00 C ATOM 671 O ALA A 45 -8.084 -3.605 7.714 1.00 0.00 O ATOM 672 CB ALA A 45 -9.603 -0.741 8.186 1.00 0.00 C ATOM 0 H ALA A 45 -7.608 0.647 7.748 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.056 -1.709 9.297 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.318 -1.554 8.313 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.765 0.009 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.741 -0.286 7.205 1.00 0.00 H new ATOM 678 N ALA A 46 -7.455 -2.200 6.084 1.00 0.00 N ATOM 679 CA ALA A 46 -7.049 -3.258 5.154 1.00 0.00 C ATOM 680 C ALA A 46 -5.815 -4.006 5.680 1.00 0.00 C ATOM 681 O ALA A 46 -5.774 -5.237 5.668 1.00 0.00 O ATOM 682 CB ALA A 46 -6.771 -2.649 3.778 1.00 0.00 C ATOM 0 H ALA A 46 -7.346 -1.258 5.708 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.859 -3.982 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.469 -3.435 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.674 -2.165 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.972 -1.912 3.861 1.00 0.00 H new ATOM 688 N ALA A 47 -4.839 -3.271 6.219 1.00 0.00 N ATOM 689 CA ALA A 47 -3.658 -3.861 6.854 1.00 0.00 C ATOM 690 C ALA A 47 -4.028 -4.683 8.096 1.00 0.00 C ATOM 691 O ALA A 47 -3.479 -5.761 8.308 1.00 0.00 O ATOM 692 CB ALA A 47 -2.694 -2.735 7.217 1.00 0.00 C ATOM 0 H ALA A 47 -4.845 -2.251 6.228 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.185 -4.550 6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.807 -3.154 7.692 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.403 -2.200 6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.182 -2.046 7.906 1.00 0.00 H new ATOM 698 N THR A 48 -4.997 -4.206 8.890 1.00 0.00 N ATOM 699 CA THR A 48 -5.582 -4.951 10.025 1.00 0.00 C ATOM 700 C THR A 48 -6.292 -6.238 9.567 1.00 0.00 C ATOM 701 O THR A 48 -6.119 -7.289 10.180 1.00 0.00 O ATOM 702 CB THR A 48 -6.572 -4.067 10.811 1.00 0.00 C ATOM 703 OG1 THR A 48 -5.969 -2.859 11.226 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.089 -4.749 12.083 1.00 0.00 C ATOM 0 H THR A 48 -5.405 -3.280 8.764 1.00 0.00 H new ATOM 0 HA THR A 48 -4.754 -5.233 10.675 1.00 0.00 H new ATOM 0 HB THR A 48 -7.395 -3.884 10.120 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.781 -2.301 10.443 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.782 -4.083 12.597 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.603 -5.673 11.817 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.250 -4.977 12.740 1.00 0.00 H new ATOM 712 N ARG A 49 -7.069 -6.183 8.476 1.00 0.00 N ATOM 713 CA ARG A 49 -7.851 -7.314 7.936 1.00 0.00 C ATOM 714 C ARG A 49 -7.011 -8.365 7.192 1.00 0.00 C ATOM 715 O ARG A 49 -7.448 -9.510 7.066 1.00 0.00 O ATOM 716 CB ARG A 49 -8.975 -6.758 7.048 1.00 0.00 C ATOM 717 CG ARG A 49 -10.083 -6.092 7.896 1.00 0.00 C ATOM 718 CD ARG A 49 -11.031 -5.221 7.071 1.00 0.00 C ATOM 719 NE ARG A 49 -11.919 -6.015 6.196 1.00 0.00 N ATOM 720 CZ ARG A 49 -12.788 -5.525 5.323 1.00 0.00 C ATOM 721 NH1 ARG A 49 -12.967 -4.252 5.143 1.00 0.00 N ATOM 722 NH2 ARG A 49 -13.526 -6.294 4.584 1.00 0.00 N ATOM 0 H ARG A 49 -7.177 -5.330 7.927 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.270 -7.855 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.563 -6.031 6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.404 -7.564 6.453 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.659 -6.867 8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.621 -5.481 8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.638 -4.614 7.743 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.447 -4.533 6.460 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.858 -7.030 6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.426 -3.579 5.686 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.649 -3.925 4.458 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.447 -7.308 4.665 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.185 -5.885 3.922 1.00 0.00 H new ATOM 736 N LEU A 50 -5.804 -8.001 6.751 1.00 0.00 N ATOM 737 CA LEU A 50 -4.860 -8.848 6.000 1.00 0.00 C ATOM 738 C LEU A 50 -3.531 -9.071 6.759 1.00 0.00 C ATOM 739 O LEU A 50 -2.554 -9.528 6.166 1.00 0.00 O ATOM 740 CB LEU A 50 -4.607 -8.217 4.616 1.00 0.00 C ATOM 741 CG LEU A 50 -5.860 -7.957 3.757 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.435 -7.338 2.423 1.00 0.00 C ATOM 743 CD2 LEU A 50 -6.662 -9.227 3.473 1.00 0.00 C ATOM 0 H LEU A 50 -5.436 -7.064 6.913 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.309 -9.834 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.085 -7.271 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.936 -8.870 4.057 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.502 -7.282 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.317 -7.152 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.916 -6.397 2.607 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.768 -8.024 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.532 -8.980 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.036 -9.941 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.991 -9.668 4.414 1.00 0.00 H new ATOM 755 N LYS A 51 -3.484 -8.770 8.068 1.00 0.00 N ATOM 756 CA LYS A 51 -2.267 -8.704 8.910 1.00 0.00 C ATOM 757 C LYS A 51 -1.388 -9.961 8.916 1.00 0.00 C ATOM 758 O LYS A 51 -0.166 -9.864 9.037 1.00 0.00 O ATOM 759 CB LYS A 51 -2.699 -8.302 10.335 1.00 0.00 C ATOM 760 CG LYS A 51 -1.539 -7.803 11.206 1.00 0.00 C ATOM 761 CD LYS A 51 -2.071 -7.243 12.531 1.00 0.00 C ATOM 762 CE LYS A 51 -0.907 -6.723 13.385 1.00 0.00 C ATOM 763 NZ LYS A 51 -1.396 -6.138 14.657 1.00 0.00 N ATOM 0 H LYS A 51 -4.330 -8.556 8.596 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.612 -7.956 8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.457 -7.521 10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.165 -9.159 10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.844 -8.620 11.401 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.982 -7.031 10.675 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.779 -6.437 12.337 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.612 -8.019 13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.216 -7.539 13.598 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.350 -5.971 12.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.585 -5.887 15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.954 -5.284 14.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.992 -6.832 15.152 1.00 0.00 H new ATOM 777 N GLY A 52 -2.006 -11.131 8.737 1.00 0.00 N ATOM 778 CA GLY A 52 -1.343 -12.436 8.664 1.00 0.00 C ATOM 779 C GLY A 52 -1.146 -12.973 7.241 1.00 0.00 C ATOM 780 O GLY A 52 -0.824 -14.152 7.089 1.00 0.00 O ATOM 0 H GLY A 52 -3.019 -11.198 8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.369 -12.362 9.148 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.928 -13.158 9.233 1.00 0.00 H new ATOM 784 N ILE A 53 -1.349 -12.141 6.206 1.00 0.00 N ATOM 785 CA ILE A 53 -1.403 -12.565 4.793 1.00 0.00 C ATOM 786 C ILE A 53 -0.620 -11.625 3.853 1.00 0.00 C ATOM 787 O ILE A 53 0.078 -12.114 2.964 1.00 0.00 O ATOM 788 CB ILE A 53 -2.870 -12.728 4.288 1.00 0.00 C ATOM 789 CG1 ILE A 53 -3.855 -13.280 5.344 1.00 0.00 C ATOM 790 CG2 ILE A 53 -2.845 -13.640 3.047 1.00 0.00 C ATOM 791 CD1 ILE A 53 -5.319 -13.346 4.887 1.00 0.00 C ATOM 0 H ILE A 53 -1.483 -11.137 6.328 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.915 -13.539 4.763 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.246 -11.733 4.051 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.534 -14.281 5.632 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.795 -12.657 6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.860 -13.772 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.228 -13.184 2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.429 -14.611 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.934 -13.745 5.693 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.665 -12.345 4.628 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.399 -13.994 4.014 1.00 0.00 H new ATOM 803 N VAL A 54 -0.683 -10.296 4.051 1.00 0.00 N ATOM 804 CA VAL A 54 -0.007 -9.293 3.193 1.00 0.00 C ATOM 805 C VAL A 54 0.548 -8.122 4.030 1.00 0.00 C ATOM 806 O VAL A 54 -0.221 -7.482 4.748 1.00 0.00 O ATOM 807 CB VAL A 54 -0.962 -8.706 2.120 1.00 0.00 C ATOM 808 CG1 VAL A 54 -0.162 -7.946 1.048 1.00 0.00 C ATOM 809 CG2 VAL A 54 -1.790 -9.760 1.375 1.00 0.00 C ATOM 0 H VAL A 54 -1.209 -9.879 4.819 1.00 0.00 H new ATOM 0 HA VAL A 54 0.809 -9.822 2.700 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.638 -8.057 2.677 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.846 -7.540 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.390 -7.131 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.538 -8.628 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.431 -9.268 0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.122 -10.453 0.864 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.407 -10.308 2.087 1.00 0.00 H new ATOM 819 N PRO A 55 1.856 -7.796 3.942 1.00 0.00 N ATOM 820 CA PRO A 55 2.401 -6.571 4.533 1.00 0.00 C ATOM 821 C PRO A 55 1.961 -5.334 3.728 1.00 0.00 C ATOM 822 O PRO A 55 2.111 -5.289 2.503 1.00 0.00 O ATOM 823 CB PRO A 55 3.921 -6.755 4.505 1.00 0.00 C ATOM 824 CG PRO A 55 4.157 -7.686 3.319 1.00 0.00 C ATOM 825 CD PRO A 55 2.905 -8.552 3.278 1.00 0.00 C ATOM 0 HA PRO A 55 2.041 -6.406 5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.436 -5.803 4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.288 -7.191 5.434 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.287 -7.127 2.392 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.055 -8.288 3.456 1.00 0.00 H new ATOM 0 HD2 PRO A 55 2.626 -8.781 2.250 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.075 -9.503 3.782 1.00 0.00 H new ATOM 833 N LEU A 56 1.456 -4.314 4.434 1.00 0.00 N ATOM 834 CA LEU A 56 1.024 -3.031 3.872 1.00 0.00 C ATOM 835 C LEU A 56 1.807 -1.850 4.479 1.00 0.00 C ATOM 836 O LEU A 56 2.177 -1.885 5.658 1.00 0.00 O ATOM 837 CB LEU A 56 -0.496 -2.833 4.076 1.00 0.00 C ATOM 838 CG LEU A 56 -1.393 -3.281 2.905 1.00 0.00 C ATOM 839 CD1 LEU A 56 -1.416 -4.793 2.691 1.00 0.00 C ATOM 840 CD2 LEU A 56 -2.827 -2.840 3.186 1.00 0.00 C ATOM 0 H LEU A 56 1.334 -4.362 5.445 1.00 0.00 H new ATOM 0 HA LEU A 56 1.236 -3.053 2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.798 -3.379 4.970 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.683 -1.777 4.269 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.977 -2.823 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.068 -5.032 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.407 -5.146 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.790 -5.282 3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.471 -3.152 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.174 -3.298 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.862 -1.755 3.283 1.00 0.00 H new ATOM 852 N ALA A 57 2.019 -0.786 3.692 1.00 0.00 N ATOM 853 CA ALA A 57 2.726 0.419 4.139 1.00 0.00 C ATOM 854 C ALA A 57 2.231 1.716 3.478 1.00 0.00 C ATOM 855 O ALA A 57 1.505 1.671 2.484 1.00 0.00 O ATOM 856 CB ALA A 57 4.213 0.225 3.843 1.00 0.00 C ATOM 0 H ALA A 57 1.703 -0.738 2.723 1.00 0.00 H new ATOM 0 HA ALA A 57 2.532 0.539 5.205 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.766 1.107 4.165 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.580 -0.650 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.355 0.079 2.772 1.00 0.00 H new ATOM 862 N LYS A 58 2.674 2.864 4.003 1.00 0.00 N ATOM 863 CA LYS A 58 2.366 4.211 3.514 1.00 0.00 C ATOM 864 C LYS A 58 3.635 5.063 3.353 1.00 0.00 C ATOM 865 O LYS A 58 4.616 4.866 4.077 1.00 0.00 O ATOM 866 CB LYS A 58 1.429 4.906 4.513 1.00 0.00 C ATOM 867 CG LYS A 58 0.102 4.167 4.776 1.00 0.00 C ATOM 868 CD LYS A 58 -0.677 4.785 5.949 1.00 0.00 C ATOM 869 CE LYS A 58 -0.962 6.281 5.788 1.00 0.00 C ATOM 870 NZ LYS A 58 -2.072 6.544 4.832 1.00 0.00 N ATOM 0 H LYS A 58 3.286 2.879 4.819 1.00 0.00 H new ATOM 0 HA LYS A 58 1.893 4.113 2.537 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.955 5.027 5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.204 5.907 4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.513 4.195 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.307 3.118 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.623 4.256 6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.113 4.630 6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.213 6.708 6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.060 6.785 5.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.097 7.557 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.920 5.993 3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.976 6.266 5.265 1.00 0.00 H new ATOM 884 N VAL A 59 3.583 6.031 2.437 1.00 0.00 N ATOM 885 CA VAL A 59 4.636 7.004 2.066 1.00 0.00 C ATOM 886 C VAL A 59 3.973 8.350 1.704 1.00 0.00 C ATOM 887 O VAL A 59 2.805 8.395 1.304 1.00 0.00 O ATOM 888 CB VAL A 59 5.457 6.475 0.861 1.00 0.00 C ATOM 889 CG1 VAL A 59 6.616 7.402 0.442 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.093 5.102 1.123 1.00 0.00 C ATOM 0 H VAL A 59 2.738 6.175 1.885 1.00 0.00 H new ATOM 0 HA VAL A 59 5.313 7.144 2.909 1.00 0.00 H new ATOM 0 HB VAL A 59 4.711 6.419 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.143 6.965 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.218 8.377 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.307 7.521 1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.654 4.787 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.767 5.170 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.311 4.373 1.335 1.00 0.00 H new ATOM 900 N ASP A 60 4.710 9.457 1.819 1.00 0.00 N ATOM 901 CA ASP A 60 4.198 10.815 1.583 1.00 0.00 C ATOM 902 C ASP A 60 5.118 11.625 0.656 1.00 0.00 C ATOM 903 O ASP A 60 6.298 11.799 0.954 1.00 0.00 O ATOM 904 CB ASP A 60 3.985 11.495 2.941 1.00 0.00 C ATOM 905 CG ASP A 60 3.345 12.879 2.795 1.00 0.00 C ATOM 906 OD1 ASP A 60 4.005 13.787 2.232 1.00 0.00 O ATOM 907 OD2 ASP A 60 2.196 13.059 3.268 1.00 0.00 O ATOM 0 H ASP A 60 5.695 9.438 2.083 1.00 0.00 H new ATOM 0 HA ASP A 60 3.243 10.760 1.060 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.351 10.866 3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.943 11.590 3.453 1.00 0.00 H new ATOM 912 N CYS A 61 4.581 12.105 -0.470 1.00 0.00 N ATOM 913 CA CYS A 61 5.328 12.752 -1.547 1.00 0.00 C ATOM 914 C CYS A 61 5.678 14.235 -1.337 1.00 0.00 C ATOM 915 O CYS A 61 6.433 14.780 -2.142 1.00 0.00 O ATOM 916 CB CYS A 61 4.542 12.575 -2.852 1.00 0.00 C ATOM 917 SG CYS A 61 4.176 10.854 -3.292 1.00 0.00 S ATOM 0 H CYS A 61 3.580 12.051 -0.661 1.00 0.00 H new ATOM 0 HA CYS A 61 6.299 12.257 -1.574 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.603 13.122 -2.771 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.107 13.031 -3.665 1.00 0.00 H new ATOM 922 N THR A 62 5.203 14.895 -0.271 1.00 0.00 N ATOM 923 CA THR A 62 5.677 16.244 0.100 1.00 0.00 C ATOM 924 C THR A 62 6.638 16.197 1.290 1.00 0.00 C ATOM 925 O THR A 62 7.575 16.998 1.367 1.00 0.00 O ATOM 926 CB THR A 62 4.513 17.226 0.307 1.00 0.00 C ATOM 927 OG1 THR A 62 4.992 18.553 0.374 1.00 0.00 O ATOM 928 CG2 THR A 62 3.651 16.992 1.544 1.00 0.00 C ATOM 0 H THR A 62 4.489 14.519 0.353 1.00 0.00 H new ATOM 0 HA THR A 62 6.250 16.632 -0.742 1.00 0.00 H new ATOM 0 HB THR A 62 3.876 17.050 -0.560 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.410 19.082 0.960 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.863 17.744 1.586 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.203 16.000 1.493 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.270 17.065 2.438 1.00 0.00 H new ATOM 936 N ALA A 63 6.486 15.196 2.165 1.00 0.00 N ATOM 937 CA ALA A 63 7.469 14.892 3.207 1.00 0.00 C ATOM 938 C ALA A 63 8.724 14.198 2.632 1.00 0.00 C ATOM 939 O ALA A 63 9.838 14.437 3.106 1.00 0.00 O ATOM 940 CB ALA A 63 6.797 14.038 4.283 1.00 0.00 C ATOM 0 H ALA A 63 5.677 14.575 2.169 1.00 0.00 H new ATOM 0 HA ALA A 63 7.817 15.825 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 63 7.519 13.804 5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.960 14.588 4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.432 13.112 3.838 1.00 0.00 H new ATOM 946 N ASN A 64 8.546 13.353 1.614 1.00 0.00 N ATOM 947 CA ASN A 64 9.582 12.530 0.980 1.00 0.00 C ATOM 948 C ASN A 64 9.379 12.404 -0.539 1.00 0.00 C ATOM 949 O ASN A 64 9.009 11.362 -1.091 1.00 0.00 O ATOM 950 CB ASN A 64 9.655 11.151 1.630 1.00 0.00 C ATOM 951 CG ASN A 64 9.913 11.160 3.127 1.00 0.00 C ATOM 952 OD1 ASN A 64 11.050 11.137 3.588 1.00 0.00 O ATOM 953 ND2 ASN A 64 8.876 11.111 3.937 1.00 0.00 N ATOM 0 H ASN A 64 7.630 13.216 1.187 1.00 0.00 H new ATOM 0 HA ASN A 64 10.532 13.040 1.136 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.718 10.627 1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.445 10.578 1.144 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.019 11.054 4.945 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.930 11.130 3.556 1.00 0.00 H new ATOM 960 N THR A 65 9.651 13.502 -1.227 1.00 0.00 N ATOM 961 CA THR A 65 9.490 13.645 -2.687 1.00 0.00 C ATOM 962 C THR A 65 10.479 12.759 -3.440 1.00 0.00 C ATOM 963 O THR A 65 10.129 12.180 -4.462 1.00 0.00 O ATOM 964 CB THR A 65 9.665 15.117 -3.109 1.00 0.00 C ATOM 965 OG1 THR A 65 8.879 15.959 -2.295 1.00 0.00 O ATOM 966 CG2 THR A 65 9.233 15.378 -4.552 1.00 0.00 C ATOM 0 H THR A 65 10.001 14.350 -0.782 1.00 0.00 H new ATOM 0 HA THR A 65 8.481 13.323 -2.945 1.00 0.00 H new ATOM 0 HB THR A 65 10.730 15.326 -3.005 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.024 15.521 -2.101 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.380 16.431 -4.791 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.831 14.766 -5.227 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.180 15.123 -4.668 1.00 0.00 H new ATOM 974 N ASN A 66 11.678 12.565 -2.889 1.00 0.00 N ATOM 975 CA ASN A 66 12.706 11.664 -3.409 1.00 0.00 C ATOM 976 C ASN A 66 12.267 10.190 -3.383 1.00 0.00 C ATOM 977 O ASN A 66 12.460 9.470 -4.364 1.00 0.00 O ATOM 978 CB ASN A 66 13.976 11.936 -2.573 1.00 0.00 C ATOM 979 CG ASN A 66 13.768 11.729 -1.077 1.00 0.00 C ATOM 980 OD1 ASN A 66 13.156 12.536 -0.391 1.00 0.00 O ATOM 981 ND2 ASN A 66 14.193 10.615 -0.538 1.00 0.00 N ATOM 0 H ASN A 66 11.970 13.048 -2.039 1.00 0.00 H new ATOM 0 HA ASN A 66 12.898 11.856 -4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.776 11.280 -2.916 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.306 12.960 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.013 10.424 0.448 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.704 9.937 -1.104 1.00 0.00 H new ATOM 988 N THR A 67 11.606 9.755 -2.302 1.00 0.00 N ATOM 989 CA THR A 67 11.027 8.404 -2.180 1.00 0.00 C ATOM 990 C THR A 67 9.889 8.194 -3.188 1.00 0.00 C ATOM 991 O THR A 67 9.800 7.133 -3.796 1.00 0.00 O ATOM 992 CB THR A 67 10.537 8.143 -0.744 1.00 0.00 C ATOM 993 OG1 THR A 67 11.583 8.417 0.163 1.00 0.00 O ATOM 994 CG2 THR A 67 10.133 6.686 -0.521 1.00 0.00 C ATOM 0 H THR A 67 11.455 10.335 -1.477 1.00 0.00 H new ATOM 0 HA THR A 67 11.814 7.685 -2.408 1.00 0.00 H new ATOM 0 HB THR A 67 9.671 8.786 -0.587 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.244 8.357 1.081 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.795 6.555 0.507 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.325 6.424 -1.204 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.990 6.038 -0.706 1.00 0.00 H new ATOM 1002 N CYS A 68 9.064 9.218 -3.434 1.00 0.00 N ATOM 1003 CA CYS A 68 8.030 9.160 -4.475 1.00 0.00 C ATOM 1004 C CYS A 68 8.580 9.220 -5.918 1.00 0.00 C ATOM 1005 O CYS A 68 8.068 8.528 -6.803 1.00 0.00 O ATOM 1006 CB CYS A 68 7.022 10.281 -4.216 1.00 0.00 C ATOM 1007 SG CYS A 68 5.898 9.857 -2.863 1.00 0.00 S ATOM 0 H CYS A 68 9.092 10.101 -2.924 1.00 0.00 H new ATOM 0 HA CYS A 68 7.548 8.185 -4.408 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.553 11.202 -3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 68 6.447 10.472 -5.122 1.00 0.00 H new ATOM 1012 N ASN A 69 9.632 10.001 -6.172 1.00 0.00 N ATOM 1013 CA ASN A 69 10.278 10.107 -7.496 1.00 0.00 C ATOM 1014 C ASN A 69 11.052 8.836 -7.896 1.00 0.00 C ATOM 1015 O ASN A 69 11.225 8.582 -9.093 1.00 0.00 O ATOM 1016 CB ASN A 69 11.165 11.362 -7.568 1.00 0.00 C ATOM 1017 CG ASN A 69 10.377 12.599 -7.965 1.00 0.00 C ATOM 1018 OD1 ASN A 69 10.678 13.282 -8.933 1.00 0.00 O ATOM 1019 ND2 ASN A 69 9.313 12.896 -7.257 1.00 0.00 N ATOM 0 H ASN A 69 10.069 10.587 -5.461 1.00 0.00 H new ATOM 0 HA ASN A 69 9.479 10.208 -8.231 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.636 11.528 -6.599 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.967 11.197 -8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.737 13.697 -7.514 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.062 12.326 -6.449 1.00 0.00 H new ATOM 1026 N LYS A 70 11.433 7.995 -6.923 1.00 0.00 N ATOM 1027 CA LYS A 70 11.969 6.638 -7.158 1.00 0.00 C ATOM 1028 C LYS A 70 10.994 5.738 -7.941 1.00 0.00 C ATOM 1029 O LYS A 70 11.440 4.829 -8.651 1.00 0.00 O ATOM 1030 CB LYS A 70 12.353 6.020 -5.802 1.00 0.00 C ATOM 1031 CG LYS A 70 13.148 4.713 -5.946 1.00 0.00 C ATOM 1032 CD LYS A 70 13.576 4.098 -4.600 1.00 0.00 C ATOM 1033 CE LYS A 70 14.546 4.993 -3.811 1.00 0.00 C ATOM 1034 NZ LYS A 70 14.977 4.329 -2.550 1.00 0.00 N ATOM 0 H LYS A 70 11.378 8.239 -5.934 1.00 0.00 H new ATOM 0 HA LYS A 70 12.854 6.718 -7.789 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.944 6.739 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.448 5.827 -5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.543 3.988 -6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.037 4.903 -6.548 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.689 3.911 -3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.048 3.132 -4.782 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.418 5.219 -4.424 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.064 5.943 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.520 5.001 -1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.140 4.014 -2.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.573 3.507 -2.776 1.00 0.00 H new ATOM 1048 N TYR A 71 9.684 6.013 -7.867 1.00 0.00 N ATOM 1049 CA TYR A 71 8.621 5.171 -8.443 1.00 0.00 C ATOM 1050 C TYR A 71 7.673 5.887 -9.420 1.00 0.00 C ATOM 1051 O TYR A 71 6.976 5.228 -10.195 1.00 0.00 O ATOM 1052 CB TYR A 71 7.817 4.561 -7.294 1.00 0.00 C ATOM 1053 CG TYR A 71 8.653 3.707 -6.371 1.00 0.00 C ATOM 1054 CD1 TYR A 71 9.193 2.490 -6.827 1.00 0.00 C ATOM 1055 CD2 TYR A 71 8.944 4.172 -5.076 1.00 0.00 C ATOM 1056 CE1 TYR A 71 10.047 1.735 -5.996 1.00 0.00 C ATOM 1057 CE2 TYR A 71 9.779 3.414 -4.233 1.00 0.00 C ATOM 1058 CZ TYR A 71 10.341 2.201 -4.692 1.00 0.00 C ATOM 1059 OH TYR A 71 11.185 1.498 -3.890 1.00 0.00 O ATOM 0 H TYR A 71 9.325 6.843 -7.396 1.00 0.00 H new ATOM 0 HA TYR A 71 9.121 4.413 -9.046 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.354 5.362 -6.718 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.009 3.956 -7.705 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.953 2.133 -7.817 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.529 5.107 -4.730 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.473 0.809 -6.352 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.991 3.761 -3.232 1.00 0.00 H new ATOM 0 HH TYR A 71 10.708 1.214 -3.082 1.00 0.00 H new ATOM 1069 N GLY A 72 7.655 7.223 -9.416 1.00 0.00 N ATOM 1070 CA GLY A 72 6.938 8.040 -10.404 1.00 0.00 C ATOM 1071 C GLY A 72 5.603 8.576 -9.905 1.00 0.00 C ATOM 1072 O GLY A 72 4.701 8.813 -10.708 1.00 0.00 O ATOM 0 H GLY A 72 8.146 7.778 -8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.570 8.879 -10.695 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.767 7.443 -11.300 1.00 0.00 H new ATOM 1076 N VAL A 73 5.448 8.736 -8.582 1.00 0.00 N ATOM 1077 CA VAL A 73 4.240 9.276 -7.932 1.00 0.00 C ATOM 1078 C VAL A 73 4.159 10.806 -8.089 1.00 0.00 C ATOM 1079 O VAL A 73 4.230 11.580 -7.134 1.00 0.00 O ATOM 1080 CB VAL A 73 4.100 8.799 -6.469 1.00 0.00 C ATOM 1081 CG1 VAL A 73 2.696 9.119 -5.935 1.00 0.00 C ATOM 1082 CG2 VAL A 73 4.314 7.283 -6.356 1.00 0.00 C ATOM 0 H VAL A 73 6.178 8.487 -7.915 1.00 0.00 H new ATOM 0 HA VAL A 73 3.372 8.868 -8.450 1.00 0.00 H new ATOM 0 HB VAL A 73 4.859 9.321 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.612 8.777 -4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.528 10.195 -5.975 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.950 8.612 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.209 6.977 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.572 6.765 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.313 7.029 -6.710 1.00 0.00 H new ATOM 1092 N SER A 74 4.041 11.242 -9.343 1.00 0.00 N ATOM 1093 CA SER A 74 3.742 12.619 -9.750 1.00 0.00 C ATOM 1094 C SER A 74 2.311 13.089 -9.390 1.00 0.00 C ATOM 1095 O SER A 74 1.987 14.264 -9.572 1.00 0.00 O ATOM 1096 CB SER A 74 3.948 12.773 -11.266 1.00 0.00 C ATOM 1097 OG SER A 74 5.258 12.376 -11.638 1.00 0.00 O ATOM 0 H SER A 74 4.156 10.618 -10.141 1.00 0.00 H new ATOM 0 HA SER A 74 4.432 13.249 -9.189 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.214 12.170 -11.801 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.781 13.810 -11.557 1.00 0.00 H new ATOM 0 HG SER A 74 5.369 12.480 -12.606 1.00 0.00 H new ATOM 1103 N GLY A 75 1.452 12.201 -8.872 1.00 0.00 N ATOM 1104 CA GLY A 75 0.092 12.459 -8.399 1.00 0.00 C ATOM 1105 C GLY A 75 -0.402 11.297 -7.536 1.00 0.00 C ATOM 1106 O GLY A 75 0.161 10.200 -7.554 1.00 0.00 O ATOM 0 H GLY A 75 1.709 11.220 -8.767 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.070 13.384 -7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.575 12.598 -9.250 1.00 0.00 H new ATOM 1110 N TYR A 76 -1.448 11.557 -6.760 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.960 10.672 -5.700 1.00 0.00 C ATOM 1112 C TYR A 76 -3.491 10.802 -5.473 1.00 0.00 C ATOM 1113 O TYR A 76 -4.072 11.814 -5.880 1.00 0.00 O ATOM 1114 CB TYR A 76 -1.165 10.941 -4.399 1.00 0.00 C ATOM 1115 CG TYR A 76 -0.640 12.359 -4.242 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -1.513 13.416 -3.924 1.00 0.00 C ATOM 1117 CD2 TYR A 76 0.720 12.624 -4.503 1.00 0.00 C ATOM 1118 CE1 TYR A 76 -1.033 14.743 -3.908 1.00 0.00 C ATOM 1119 CE2 TYR A 76 1.204 13.945 -4.477 1.00 0.00 C ATOM 1120 CZ TYR A 76 0.323 15.013 -4.182 1.00 0.00 C ATOM 1121 OH TYR A 76 0.779 16.293 -4.157 1.00 0.00 O ATOM 0 H TYR A 76 -1.987 12.418 -6.848 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.810 9.641 -6.020 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.805 10.711 -3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -0.321 10.252 -4.359 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.548 13.212 -3.693 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.394 11.809 -4.724 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.708 15.556 -3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.246 14.144 -4.682 1.00 0.00 H new ATOM 0 HH TYR A 76 1.736 16.303 -4.367 1.00 0.00 H new ATOM 1131 N PRO A 77 -4.154 9.810 -4.827 1.00 0.00 N ATOM 1132 CA PRO A 77 -3.595 8.556 -4.307 1.00 0.00 C ATOM 1133 C PRO A 77 -3.037 7.633 -5.402 1.00 0.00 C ATOM 1134 O PRO A 77 -3.592 7.519 -6.498 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.731 7.833 -3.573 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.993 8.424 -4.195 1.00 0.00 C ATOM 1137 CD PRO A 77 -5.588 9.847 -4.579 1.00 0.00 C ATOM 0 HA PRO A 77 -2.755 8.797 -3.656 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.680 6.754 -3.719 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.692 8.012 -2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.314 7.852 -5.066 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.824 8.423 -3.489 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.128 10.179 -5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.827 10.548 -3.780 1.00 0.00 H new ATOM 1145 N THR A 78 -1.940 6.954 -5.060 1.00 0.00 N ATOM 1146 CA THR A 78 -1.243 5.989 -5.916 1.00 0.00 C ATOM 1147 C THR A 78 -0.799 4.825 -5.043 1.00 0.00 C ATOM 1148 O THR A 78 -0.078 5.020 -4.065 1.00 0.00 O ATOM 1149 CB THR A 78 -0.052 6.650 -6.622 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.530 7.528 -7.626 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.864 5.657 -7.340 1.00 0.00 C ATOM 0 H THR A 78 -1.496 7.064 -4.148 1.00 0.00 H new ATOM 0 HA THR A 78 -1.908 5.625 -6.699 1.00 0.00 H new ATOM 0 HB THR A 78 0.512 7.154 -5.837 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.210 8.437 -7.445 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.683 6.196 -7.816 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.268 4.947 -6.618 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.295 5.119 -8.098 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.230 3.611 -5.384 1.00 0.00 N ATOM 1160 CA LEU A 79 -0.825 2.382 -4.702 1.00 0.00 C ATOM 1161 C LEU A 79 0.079 1.542 -5.618 1.00 0.00 C ATOM 1162 O LEU A 79 -0.144 1.461 -6.833 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.069 1.592 -4.248 1.00 0.00 C ATOM 1164 CG LEU A 79 -2.861 2.197 -3.066 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.012 3.099 -3.524 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -3.477 1.085 -2.215 1.00 0.00 C ATOM 0 H LEU A 79 -1.880 3.451 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.250 2.636 -3.811 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.743 1.494 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.755 0.585 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.143 2.789 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.532 3.496 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.615 3.924 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.709 2.520 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.032 1.526 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.153 0.490 -2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.686 0.446 -1.823 1.00 0.00 H new ATOM 1178 N LYS A 80 1.090 0.901 -5.024 1.00 0.00 N ATOM 1179 CA LYS A 80 2.120 0.111 -5.724 1.00 0.00 C ATOM 1180 C LYS A 80 2.270 -1.280 -5.112 1.00 0.00 C ATOM 1181 O LYS A 80 2.247 -1.439 -3.889 1.00 0.00 O ATOM 1182 CB LYS A 80 3.467 0.843 -5.624 1.00 0.00 C ATOM 1183 CG LYS A 80 3.573 2.178 -6.384 1.00 0.00 C ATOM 1184 CD LYS A 80 3.775 1.943 -7.887 1.00 0.00 C ATOM 1185 CE LYS A 80 4.195 3.224 -8.607 1.00 0.00 C ATOM 1186 NZ LYS A 80 4.826 2.907 -9.915 1.00 0.00 N ATOM 0 H LYS A 80 1.223 0.915 -4.013 1.00 0.00 H new ATOM 0 HA LYS A 80 1.814 -0.001 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.678 1.030 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.247 0.177 -5.992 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.669 2.765 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.405 2.760 -5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.534 1.176 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.850 1.566 -8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.325 3.862 -8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.894 3.784 -7.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.327 3.746 -10.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.501 2.125 -9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.091 2.628 -10.596 1.00 0.00 H new ATOM 1200 N ILE A 81 2.462 -2.275 -5.988 1.00 0.00 N ATOM 1201 CA ILE A 81 2.677 -3.680 -5.628 1.00 0.00 C ATOM 1202 C ILE A 81 4.133 -4.054 -5.905 1.00 0.00 C ATOM 1203 O ILE A 81 4.692 -3.719 -6.952 1.00 0.00 O ATOM 1204 CB ILE A 81 1.716 -4.583 -6.436 1.00 0.00 C ATOM 1205 CG1 ILE A 81 0.262 -4.341 -5.975 1.00 0.00 C ATOM 1206 CG2 ILE A 81 2.058 -6.080 -6.278 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -0.753 -4.844 -7.004 1.00 0.00 C ATOM 0 H ILE A 81 2.472 -2.118 -6.996 1.00 0.00 H new ATOM 0 HA ILE A 81 2.471 -3.825 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 81 1.828 -4.322 -7.488 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.094 -4.845 -5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.108 -3.276 -5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.358 -6.677 -6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.073 -6.261 -6.633 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.985 -6.361 -5.227 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.763 -4.655 -6.641 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.603 -4.321 -7.949 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.617 -5.915 -7.156 1.00 0.00 H new ATOM 1219 N PHE A 82 4.709 -4.832 -4.992 1.00 0.00 N ATOM 1220 CA PHE A 82 6.097 -5.285 -5.050 1.00 0.00 C ATOM 1221 C PHE A 82 6.183 -6.801 -4.840 1.00 0.00 C ATOM 1222 O PHE A 82 6.316 -7.293 -3.714 1.00 0.00 O ATOM 1223 CB PHE A 82 6.948 -4.516 -4.026 1.00 0.00 C ATOM 1224 CG PHE A 82 6.858 -3.005 -4.162 1.00 0.00 C ATOM 1225 CD1 PHE A 82 7.720 -2.333 -5.045 1.00 0.00 C ATOM 1226 CD2 PHE A 82 5.890 -2.280 -3.440 1.00 0.00 C ATOM 1227 CE1 PHE A 82 7.624 -0.939 -5.199 1.00 0.00 C ATOM 1228 CE2 PHE A 82 5.795 -0.884 -3.603 1.00 0.00 C ATOM 1229 CZ PHE A 82 6.663 -0.212 -4.475 1.00 0.00 C ATOM 0 H PHE A 82 4.211 -5.174 -4.170 1.00 0.00 H new ATOM 0 HA PHE A 82 6.498 -5.075 -6.042 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.635 -4.800 -3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.989 -4.819 -4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 82 8.457 -2.888 -5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.223 -2.793 -2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 82 8.291 -0.425 -5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 82 5.050 -0.328 -3.053 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.594 0.860 -4.590 1.00 0.00 H new ATOM 1239 N ARG A 83 6.036 -7.556 -5.933 1.00 0.00 N ATOM 1240 CA ARG A 83 6.101 -9.029 -5.945 1.00 0.00 C ATOM 1241 C ARG A 83 7.504 -9.492 -5.546 1.00 0.00 C ATOM 1242 O ARG A 83 8.491 -9.079 -6.148 1.00 0.00 O ATOM 1243 CB ARG A 83 5.683 -9.561 -7.325 1.00 0.00 C ATOM 1244 CG ARG A 83 5.626 -11.099 -7.356 1.00 0.00 C ATOM 1245 CD ARG A 83 5.143 -11.628 -8.713 1.00 0.00 C ATOM 1246 NE ARG A 83 6.117 -11.363 -9.795 1.00 0.00 N ATOM 1247 CZ ARG A 83 5.993 -11.723 -11.062 1.00 0.00 C ATOM 1248 NH1 ARG A 83 4.942 -12.360 -11.507 1.00 0.00 N ATOM 1249 NH2 ARG A 83 6.934 -11.452 -11.917 1.00 0.00 N ATOM 0 H ARG A 83 5.865 -7.156 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 83 5.403 -9.436 -5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.706 -9.156 -7.589 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.388 -9.209 -8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.615 -11.503 -7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.959 -11.453 -6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.966 -12.701 -8.641 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.189 -11.164 -8.963 1.00 0.00 H new ATOM 0 HE ARG A 83 6.964 -10.855 -9.540 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.181 -12.596 -10.870 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.883 -12.621 -12.491 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.774 -10.959 -11.612 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.833 -11.732 -12.893 1.00 0.00 H new ATOM 1263 N ASP A 84 7.585 -10.319 -4.506 1.00 0.00 N ATOM 1264 CA ASP A 84 8.839 -10.759 -3.860 1.00 0.00 C ATOM 1265 C ASP A 84 9.827 -9.606 -3.531 1.00 0.00 C ATOM 1266 O ASP A 84 11.046 -9.793 -3.500 1.00 0.00 O ATOM 1267 CB ASP A 84 9.457 -11.895 -4.693 1.00 0.00 C ATOM 1268 CG ASP A 84 10.533 -12.694 -3.938 1.00 0.00 C ATOM 1269 OD1 ASP A 84 10.259 -13.179 -2.812 1.00 0.00 O ATOM 1270 OD2 ASP A 84 11.635 -12.909 -4.500 1.00 0.00 O ATOM 0 H ASP A 84 6.756 -10.720 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 84 8.595 -11.148 -2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.666 -12.575 -5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.896 -11.474 -5.598 1.00 0.00 H new ATOM 1275 N GLY A 85 9.302 -8.392 -3.310 1.00 0.00 N ATOM 1276 CA GLY A 85 10.064 -7.213 -2.886 1.00 0.00 C ATOM 1277 C GLY A 85 10.568 -6.294 -4.012 1.00 0.00 C ATOM 1278 O GLY A 85 11.414 -5.437 -3.752 1.00 0.00 O ATOM 0 H GLY A 85 8.307 -8.200 -3.425 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.439 -6.623 -2.215 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.924 -7.550 -2.307 1.00 0.00 H new ATOM 1282 N GLU A 86 10.060 -6.419 -5.244 1.00 0.00 N ATOM 1283 CA GLU A 86 10.397 -5.562 -6.386 1.00 0.00 C ATOM 1284 C GLU A 86 9.149 -5.232 -7.227 1.00 0.00 C ATOM 1285 O GLU A 86 8.212 -6.024 -7.306 1.00 0.00 O ATOM 1286 CB GLU A 86 11.498 -6.219 -7.226 1.00 0.00 C ATOM 1287 CG GLU A 86 11.103 -7.521 -7.938 1.00 0.00 C ATOM 1288 CD GLU A 86 12.275 -8.056 -8.782 1.00 0.00 C ATOM 1289 OE1 GLU A 86 13.140 -8.794 -8.246 1.00 0.00 O ATOM 1290 OE2 GLU A 86 12.340 -7.752 -9.998 1.00 0.00 O ATOM 0 H GLU A 86 9.381 -7.143 -5.481 1.00 0.00 H new ATOM 0 HA GLU A 86 10.779 -4.613 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.833 -5.503 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.350 -6.425 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.807 -8.269 -7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.238 -7.344 -8.578 1.00 0.00 H new ATOM 1297 N GLU A 87 9.115 -4.036 -7.825 1.00 0.00 N ATOM 1298 CA GLU A 87 7.922 -3.463 -8.469 1.00 0.00 C ATOM 1299 C GLU A 87 7.287 -4.391 -9.526 1.00 0.00 C ATOM 1300 O GLU A 87 7.838 -4.599 -10.611 1.00 0.00 O ATOM 1301 CB GLU A 87 8.261 -2.076 -9.048 1.00 0.00 C ATOM 1302 CG GLU A 87 7.021 -1.337 -9.571 1.00 0.00 C ATOM 1303 CD GLU A 87 7.383 0.020 -10.200 1.00 0.00 C ATOM 1304 OE1 GLU A 87 8.082 0.043 -11.244 1.00 0.00 O ATOM 1305 OE2 GLU A 87 6.940 1.081 -9.689 1.00 0.00 O ATOM 0 H GLU A 87 9.930 -3.425 -7.877 1.00 0.00 H new ATOM 0 HA GLU A 87 7.158 -3.351 -7.700 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.742 -1.472 -8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.980 -2.190 -9.859 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.515 -1.957 -10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.319 -1.181 -8.752 1.00 0.00 H new ATOM 1312 N ALA A 88 6.093 -4.916 -9.218 1.00 0.00 N ATOM 1313 CA ALA A 88 5.256 -5.638 -10.175 1.00 0.00 C ATOM 1314 C ALA A 88 4.553 -4.649 -11.125 1.00 0.00 C ATOM 1315 O ALA A 88 4.421 -4.917 -12.322 1.00 0.00 O ATOM 1316 CB ALA A 88 4.228 -6.468 -9.392 1.00 0.00 C ATOM 0 H ALA A 88 5.681 -4.849 -8.287 1.00 0.00 H new ATOM 0 HA ALA A 88 5.871 -6.300 -10.784 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.594 -7.014 -10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.748 -7.174 -8.745 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.612 -5.805 -8.785 1.00 0.00 H new ATOM 1322 N GLY A 89 4.146 -3.486 -10.594 1.00 0.00 N ATOM 1323 CA GLY A 89 3.660 -2.349 -11.387 1.00 0.00 C ATOM 1324 C GLY A 89 2.924 -1.296 -10.562 1.00 0.00 C ATOM 1325 O GLY A 89 3.517 -0.303 -10.140 1.00 0.00 O ATOM 0 H GLY A 89 4.146 -3.308 -9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.506 -1.879 -11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.993 -2.719 -12.166 1.00 0.00 H new ATOM 1329 N ALA A 90 1.631 -1.531 -10.331 1.00 0.00 N ATOM 1330 CA ALA A 90 0.704 -0.628 -9.640 1.00 0.00 C ATOM 1331 C ALA A 90 -0.597 -1.350 -9.218 1.00 0.00 C ATOM 1332 O ALA A 90 -0.907 -2.435 -9.713 1.00 0.00 O ATOM 1333 CB ALA A 90 0.370 0.544 -10.573 1.00 0.00 C ATOM 0 H ALA A 90 1.180 -2.394 -10.633 1.00 0.00 H new ATOM 0 HA ALA A 90 1.186 -0.268 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.319 1.224 -10.071 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.285 1.078 -10.828 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.094 0.164 -11.483 1.00 0.00 H new ATOM 1339 N TYR A 91 -1.388 -0.702 -8.358 1.00 0.00 N ATOM 1340 CA TYR A 91 -2.748 -1.117 -7.988 1.00 0.00 C ATOM 1341 C TYR A 91 -3.759 0.001 -8.284 1.00 0.00 C ATOM 1342 O TYR A 91 -3.512 1.181 -8.025 1.00 0.00 O ATOM 1343 CB TYR A 91 -2.791 -1.496 -6.499 1.00 0.00 C ATOM 1344 CG TYR A 91 -4.191 -1.798 -5.988 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -4.740 -3.086 -6.153 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -4.968 -0.780 -5.395 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -6.063 -3.345 -5.748 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -6.291 -1.038 -4.985 1.00 0.00 C ATOM 1349 CZ TYR A 91 -6.843 -2.323 -5.170 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.130 -2.566 -4.800 1.00 0.00 O ATOM 0 H TYR A 91 -1.093 0.152 -7.885 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.021 -1.987 -8.585 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.158 -2.368 -6.336 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.367 -0.681 -5.913 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.145 -3.874 -6.590 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.545 0.204 -5.254 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -6.482 -4.331 -5.881 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.880 -0.255 -4.531 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.520 -1.752 -4.418 1.00 0.00 H new ATOM 1360 N ASP A 92 -4.928 -0.391 -8.794 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.116 0.455 -8.957 1.00 0.00 C ATOM 1362 C ASP A 92 -7.399 -0.397 -8.864 1.00 0.00 C ATOM 1363 O ASP A 92 -7.399 -1.587 -9.206 1.00 0.00 O ATOM 1364 CB ASP A 92 -6.034 1.194 -10.300 1.00 0.00 C ATOM 1365 CG ASP A 92 -7.170 2.221 -10.445 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -7.295 3.105 -9.563 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -7.932 2.168 -11.441 1.00 0.00 O ATOM 0 H ASP A 92 -5.081 -1.346 -9.119 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.152 1.193 -8.155 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.072 1.700 -10.381 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.085 0.474 -11.117 1.00 0.00 H new ATOM 1372 N GLY A 93 -8.492 0.194 -8.374 1.00 0.00 N ATOM 1373 CA GLY A 93 -9.723 -0.533 -8.039 1.00 0.00 C ATOM 1374 C GLY A 93 -10.762 0.357 -7.335 1.00 0.00 C ATOM 1375 O GLY A 93 -10.806 1.562 -7.594 1.00 0.00 O ATOM 0 H GLY A 93 -8.550 1.197 -8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.158 -0.942 -8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.478 -1.378 -7.396 1.00 0.00 H new ATOM 1379 N PRO A 94 -11.597 -0.209 -6.441 1.00 0.00 N ATOM 1380 CA PRO A 94 -12.567 0.538 -5.628 1.00 0.00 C ATOM 1381 C PRO A 94 -11.996 1.699 -4.783 1.00 0.00 C ATOM 1382 O PRO A 94 -12.759 2.592 -4.404 1.00 0.00 O ATOM 1383 CB PRO A 94 -13.207 -0.514 -4.716 1.00 0.00 C ATOM 1384 CG PRO A 94 -13.081 -1.808 -5.506 1.00 0.00 C ATOM 1385 CD PRO A 94 -11.742 -1.640 -6.211 1.00 0.00 C ATOM 0 HA PRO A 94 -13.263 1.043 -6.298 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.691 -0.579 -3.758 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.249 -0.276 -4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.089 -2.682 -4.855 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.900 -1.931 -6.215 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.926 -2.023 -5.599 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.722 -2.192 -7.151 1.00 0.00 H new ATOM 1393 N ARG A 95 -10.683 1.688 -4.477 1.00 0.00 N ATOM 1394 CA ARG A 95 -9.991 2.635 -3.565 1.00 0.00 C ATOM 1395 C ARG A 95 -10.694 2.740 -2.205 1.00 0.00 C ATOM 1396 O ARG A 95 -11.118 3.812 -1.772 1.00 0.00 O ATOM 1397 CB ARG A 95 -9.733 4.002 -4.247 1.00 0.00 C ATOM 1398 CG ARG A 95 -8.872 3.878 -5.513 1.00 0.00 C ATOM 1399 CD ARG A 95 -8.573 5.257 -6.114 1.00 0.00 C ATOM 1400 NE ARG A 95 -7.881 5.139 -7.414 1.00 0.00 N ATOM 1401 CZ ARG A 95 -7.352 6.113 -8.128 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -7.369 7.360 -7.751 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -6.793 5.827 -9.266 1.00 0.00 N ATOM 0 H ARG A 95 -10.047 0.995 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.004 2.227 -3.346 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.687 4.461 -4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.239 4.669 -3.540 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.937 3.372 -5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.388 3.261 -6.249 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.504 5.809 -6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.956 5.831 -5.422 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.804 4.199 -7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.806 7.619 -6.867 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.945 8.077 -8.340 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -6.769 4.861 -9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -6.379 6.568 -9.831 1.00 0.00 H new ATOM 1417 N THR A 96 -10.816 1.583 -1.549 1.00 0.00 N ATOM 1418 CA THR A 96 -11.455 1.342 -0.238 1.00 0.00 C ATOM 1419 C THR A 96 -10.822 0.118 0.439 1.00 0.00 C ATOM 1420 O THR A 96 -10.253 -0.730 -0.252 1.00 0.00 O ATOM 1421 CB THR A 96 -12.965 1.042 -0.377 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.201 -0.049 -1.243 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.797 2.217 -0.886 1.00 0.00 C ATOM 0 H THR A 96 -10.444 0.720 -1.945 1.00 0.00 H new ATOM 0 HA THR A 96 -11.310 2.249 0.349 1.00 0.00 H new ATOM 0 HB THR A 96 -13.280 0.815 0.641 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.165 -0.213 -1.307 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.843 1.920 -0.953 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.702 3.056 -0.197 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.440 2.515 -1.872 1.00 0.00 H new ATOM 1431 N ALA A 97 -10.949 -0.024 1.769 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.492 -1.210 2.506 1.00 0.00 C ATOM 1433 C ALA A 97 -11.007 -2.536 1.911 1.00 0.00 C ATOM 1434 O ALA A 97 -10.250 -3.493 1.738 1.00 0.00 O ATOM 1435 CB ALA A 97 -10.966 -1.092 3.961 1.00 0.00 C ATOM 0 H ALA A 97 -11.374 0.686 2.365 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.405 -1.238 2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.635 -1.965 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.546 -0.191 4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.054 -1.036 3.986 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.289 -2.567 1.549 1.00 0.00 N ATOM 1442 CA ASP A 98 -12.951 -3.742 0.976 1.00 0.00 C ATOM 1443 C ASP A 98 -12.406 -4.112 -0.407 1.00 0.00 C ATOM 1444 O ASP A 98 -12.349 -5.292 -0.738 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.469 -3.511 0.902 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.110 -3.396 2.294 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -14.918 -4.321 3.125 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -15.806 -2.387 2.562 1.00 0.00 O ATOM 0 H ASP A 98 -12.909 -1.763 1.647 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.738 -4.582 1.638 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.669 -2.601 0.336 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -14.933 -4.333 0.357 1.00 0.00 H new ATOM 1453 N GLY A 99 -11.957 -3.129 -1.200 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.276 -3.365 -2.476 1.00 0.00 C ATOM 1455 C GLY A 99 -9.943 -4.104 -2.305 1.00 0.00 C ATOM 1456 O GLY A 99 -9.672 -5.059 -3.037 1.00 0.00 O ATOM 0 H GLY A 99 -12.058 -2.140 -0.970 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -11.928 -3.945 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.097 -2.410 -2.970 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.141 -3.723 -1.301 1.00 0.00 N ATOM 1461 CA ILE A 100 -7.854 -4.379 -1.001 1.00 0.00 C ATOM 1462 C ILE A 100 -8.062 -5.837 -0.568 1.00 0.00 C ATOM 1463 O ILE A 100 -7.416 -6.750 -1.085 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.065 -3.629 0.100 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.065 -2.089 0.003 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.615 -4.143 0.121 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.594 -1.506 -1.337 1.00 0.00 C ATOM 0 H ILE A 100 -9.363 -2.951 -0.672 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.273 -4.355 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.593 -3.848 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.076 -1.731 0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.428 -1.694 0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.054 -3.618 0.895 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.611 -5.212 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.151 -3.963 -0.849 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.634 -0.418 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.570 -1.824 -1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.243 -1.862 -2.137 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.006 -6.075 0.353 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.387 -7.421 0.815 1.00 0.00 C ATOM 1481 C VAL A 101 -9.970 -8.271 -0.323 1.00 0.00 C ATOM 1482 O VAL A 101 -9.614 -9.441 -0.461 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.367 -7.323 2.001 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -10.803 -8.699 2.514 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -9.711 -6.574 3.169 1.00 0.00 C ATOM 0 H VAL A 101 -9.535 -5.329 0.805 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.484 -7.927 1.156 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.244 -6.790 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.492 -8.574 3.349 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.299 -9.246 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.928 -9.257 2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.413 -6.511 4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.817 -7.109 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.437 -5.569 2.849 1.00 0.00 H new ATOM 1495 N SER A 102 -10.797 -7.675 -1.187 1.00 0.00 N ATOM 1496 CA SER A 102 -11.326 -8.329 -2.405 1.00 0.00 C ATOM 1497 C SER A 102 -10.228 -8.726 -3.403 1.00 0.00 C ATOM 1498 O SER A 102 -10.258 -9.828 -3.951 1.00 0.00 O ATOM 1499 CB SER A 102 -12.352 -7.439 -3.122 1.00 0.00 C ATOM 1500 OG SER A 102 -13.452 -7.164 -2.280 1.00 0.00 O ATOM 0 H SER A 102 -11.126 -6.717 -1.067 1.00 0.00 H new ATOM 0 HA SER A 102 -11.809 -9.241 -2.054 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.880 -6.505 -3.428 1.00 0.00 H new ATOM 0 HB3 SER A 102 -12.698 -7.933 -4.030 1.00 0.00 H new ATOM 0 HG SER A 102 -13.218 -6.440 -1.663 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.223 -7.871 -3.614 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.055 -8.164 -4.446 1.00 0.00 C ATOM 1508 C HIS A 103 -7.213 -9.322 -3.878 1.00 0.00 C ATOM 1509 O HIS A 103 -6.719 -10.153 -4.643 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.234 -6.870 -4.580 1.00 0.00 C ATOM 1511 CG HIS A 103 -5.846 -7.047 -5.131 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.481 -7.062 -6.462 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -4.695 -7.169 -4.396 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -4.143 -7.181 -6.527 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -3.615 -7.265 -5.292 1.00 0.00 N ATOM 0 H HIS A 103 -9.199 -6.938 -3.203 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.382 -8.499 -5.430 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.778 -6.179 -5.224 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.161 -6.402 -3.599 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.629 -7.188 -3.318 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.572 -7.206 -7.443 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -2.629 -7.376 -5.054 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.068 -9.406 -2.551 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.361 -10.501 -1.882 1.00 0.00 C ATOM 1525 C LEU A 104 -7.151 -11.818 -1.926 1.00 0.00 C ATOM 1526 O LEU A 104 -6.609 -12.846 -2.334 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.017 -10.043 -0.449 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.223 -11.024 0.434 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.109 -12.081 1.092 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.065 -11.711 -0.298 1.00 0.00 C ATOM 0 H LEU A 104 -7.442 -8.709 -1.907 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.435 -10.725 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.448 -9.116 -0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.950 -9.807 0.063 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.796 -10.392 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.494 -12.743 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.851 -11.592 1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.615 -12.663 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.552 -12.387 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.454 -12.278 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.364 -10.958 -0.658 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.433 -11.832 -1.539 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.225 -13.075 -1.441 1.00 0.00 C ATOM 1544 C LYS A 105 -9.360 -13.825 -2.774 1.00 0.00 C ATOM 1545 O LYS A 105 -9.437 -15.051 -2.773 1.00 0.00 O ATOM 1546 CB LYS A 105 -10.576 -12.809 -0.757 1.00 0.00 C ATOM 1547 CG LYS A 105 -11.648 -12.218 -1.685 1.00 0.00 C ATOM 1548 CD LYS A 105 -12.923 -11.772 -0.948 1.00 0.00 C ATOM 1549 CE LYS A 105 -13.660 -12.960 -0.306 1.00 0.00 C ATOM 1550 NZ LYS A 105 -14.938 -12.543 0.326 1.00 0.00 N ATOM 0 H LYS A 105 -8.952 -10.991 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.665 -13.759 -0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.949 -13.744 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -10.419 -12.127 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.227 -11.364 -2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.914 -12.960 -2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.662 -11.047 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -13.589 -11.267 -1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.860 -13.716 -1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.018 -13.423 0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.404 -13.372 0.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.745 -11.840 1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.561 -12.124 -0.394 1.00 0.00 H new ATOM 1564 N LYS A 106 -9.328 -13.098 -3.901 1.00 0.00 N ATOM 1565 CA LYS A 106 -9.379 -13.626 -5.280 1.00 0.00 C ATOM 1566 C LYS A 106 -8.089 -14.328 -5.759 1.00 0.00 C ATOM 1567 O LYS A 106 -8.111 -14.940 -6.824 1.00 0.00 O ATOM 1568 CB LYS A 106 -9.765 -12.481 -6.237 1.00 0.00 C ATOM 1569 CG LYS A 106 -11.262 -12.133 -6.118 1.00 0.00 C ATOM 1570 CD LYS A 106 -11.606 -10.935 -7.020 1.00 0.00 C ATOM 1571 CE LYS A 106 -13.066 -10.484 -6.859 1.00 0.00 C ATOM 1572 NZ LYS A 106 -14.034 -11.471 -7.412 1.00 0.00 N ATOM 0 H LYS A 106 -9.263 -12.080 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.133 -14.413 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.165 -11.599 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.537 -12.769 -7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.866 -12.995 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.506 -11.899 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.943 -10.103 -6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.423 -11.202 -8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.279 -10.325 -5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.204 -9.526 -7.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.003 -11.119 -7.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.851 -11.605 -8.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.924 -12.379 -6.918 1.00 0.00 H new ATOM 1586 N GLN A 107 -6.991 -14.258 -4.998 1.00 0.00 N ATOM 1587 CA GLN A 107 -5.703 -14.894 -5.313 1.00 0.00 C ATOM 1588 C GLN A 107 -5.190 -15.821 -4.197 1.00 0.00 C ATOM 1589 O GLN A 107 -4.597 -16.863 -4.476 1.00 0.00 O ATOM 1590 CB GLN A 107 -4.671 -13.814 -5.665 1.00 0.00 C ATOM 1591 CG GLN A 107 -4.398 -12.753 -4.591 1.00 0.00 C ATOM 1592 CD GLN A 107 -3.420 -11.678 -5.059 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.227 -11.901 -5.240 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -3.890 -10.468 -5.252 1.00 0.00 N ATOM 0 H GLN A 107 -6.972 -13.742 -4.119 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.861 -15.542 -6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.729 -14.307 -5.905 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.004 -13.306 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.338 -12.283 -4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -3.999 -13.238 -3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.881 -10.276 -5.103 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.265 -9.720 -5.551 1.00 0.00 H new ATOM 1603 N ALA A 108 -5.483 -15.483 -2.938 1.00 0.00 N ATOM 1604 CA ALA A 108 -5.266 -16.350 -1.775 1.00 0.00 C ATOM 1605 C ALA A 108 -6.149 -17.622 -1.768 1.00 0.00 C ATOM 1606 O ALA A 108 -5.841 -18.583 -1.056 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.504 -15.520 -0.507 1.00 0.00 C ATOM 0 H ALA A 108 -5.887 -14.579 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.240 -16.715 -1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -5.348 -16.146 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.807 -14.682 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.526 -15.142 -0.506 1.00 0.00 H new ATOM 1613 N GLY A 109 -7.224 -17.652 -2.563 1.00 0.00 N ATOM 1614 CA GLY A 109 -8.121 -18.803 -2.721 1.00 0.00 C ATOM 1615 C GLY A 109 -9.118 -18.659 -3.888 1.00 0.00 C ATOM 1616 O GLY A 109 -9.088 -17.657 -4.611 1.00 0.00 O ATOM 0 H GLY A 109 -7.503 -16.852 -3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.522 -19.700 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.678 -18.948 -1.795 1.00 0.00 H new ATOM 1620 N PRO A 110 -10.019 -19.645 -4.091 1.00 0.00 N ATOM 1621 CA PRO A 110 -11.062 -19.626 -5.134 1.00 0.00 C ATOM 1622 C PRO A 110 -12.081 -18.477 -5.018 1.00 0.00 C ATOM 1623 O PRO A 110 -12.731 -18.128 -6.008 1.00 0.00 O ATOM 1624 CB PRO A 110 -11.788 -20.971 -5.017 1.00 0.00 C ATOM 1625 CG PRO A 110 -10.810 -21.872 -4.278 1.00 0.00 C ATOM 1626 CD PRO A 110 -10.042 -20.914 -3.378 1.00 0.00 C ATOM 0 HA PRO A 110 -10.581 -19.464 -6.099 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -12.725 -20.869 -4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -12.035 -21.375 -5.999 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.329 -22.636 -3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -10.146 -22.392 -4.968 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -10.529 -20.811 -2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -9.032 -21.277 -3.190 1.00 0.00 H new ATOM 1634 N ALA A 111 -12.253 -17.917 -3.812 1.00 0.00 N ATOM 1635 CA ALA A 111 -13.255 -16.901 -3.427 1.00 0.00 C ATOM 1636 C ALA A 111 -14.740 -17.312 -3.630 1.00 0.00 C ATOM 1637 O ALA A 111 -15.636 -16.467 -3.544 1.00 0.00 O ATOM 1638 CB ALA A 111 -12.886 -15.555 -4.071 1.00 0.00 C ATOM 0 H ALA A 111 -11.659 -18.176 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 111 -13.205 -16.799 -2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -13.623 -14.803 -3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.900 -15.244 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.873 -15.662 -5.156 1.00 0.00 H new ATOM 1644 N SER A 112 -15.004 -18.613 -3.837 1.00 0.00 N ATOM 1645 CA SER A 112 -16.340 -19.208 -4.088 1.00 0.00 C ATOM 1646 C SER A 112 -16.563 -20.535 -3.323 1.00 0.00 C ATOM 1647 O SER A 112 -17.471 -21.306 -3.647 1.00 0.00 O ATOM 1648 CB SER A 112 -16.540 -19.424 -5.599 1.00 0.00 C ATOM 1649 OG SER A 112 -16.447 -18.198 -6.314 1.00 0.00 O ATOM 0 H SER A 112 -14.264 -19.315 -3.835 1.00 0.00 H new ATOM 0 HA SER A 112 -17.081 -18.502 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.790 -20.122 -5.971 1.00 0.00 H new ATOM 0 HB3 SER A 112 -17.515 -19.878 -5.778 1.00 0.00 H new ATOM 0 HG SER A 112 -16.576 -18.367 -7.271 1.00 0.00 H new ATOM 1655 N VAL A 113 -15.707 -20.824 -2.325 1.00 0.00 N ATOM 1656 CA VAL A 113 -15.751 -22.025 -1.451 1.00 0.00 C ATOM 1657 C VAL A 113 -17.049 -22.173 -0.639 1.00 0.00 C ATOM 1658 O VAL A 113 -17.656 -21.149 -0.250 1.00 0.00 O ATOM 1659 CB VAL A 113 -14.523 -22.118 -0.528 1.00 0.00 C ATOM 1660 CG1 VAL A 113 -13.252 -22.311 -1.358 1.00 0.00 C ATOM 1661 CG2 VAL A 113 -14.320 -20.896 0.374 1.00 0.00 C ATOM 1662 OXT VAL A 113 -17.454 -23.333 -0.389 1.00 0.00 O ATOM 0 H VAL A 113 -14.931 -20.205 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 113 -15.730 -22.864 -2.146 1.00 0.00 H new ATOM 0 HB VAL A 113 -14.716 -22.974 0.119 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.390 -22.375 -0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.332 -23.230 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -13.127 -21.465 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -13.434 -21.043 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -14.189 -20.007 -0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -15.192 -20.768 1.015 1.00 0.00 H new TER 1672 VAL A 113